Home Halogens 1H-1,2,4-Triazole-1-propanenitrile, α-[2-(4-chlorophenyl)ethyl]-α-phenyl-

1H-1,2,4-Triazole-1-propanenitrile, α-[2-(4-chlorophenyl)ethyl]-α-phenyl-

CAS No.:
114369-43-6
Catalog Number:
AG000B66
Molecular Formula:
C19H17ClN4
Molecular Weight:
336.8181
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Product Description
Catalog Number:
AG000B66
Chemical Name:
1H-1,2,4-Triazole-1-propanenitrile, α-[2-(4-chlorophenyl)ethyl]-α-phenyl-
CAS Number:
114369-43-6
Molecular Formula:
C19H17ClN4
Molecular Weight:
336.8181
MDL Number:
MFCD01632336
IUPAC Name:
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
InChI:
InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2
InChI Key:
RQDJADAKIFFEKQ-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl
Properties
Complexity:
434  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.114g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.823g/mol
Monoisotopic Mass:
336.114g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Protocol for an electrospray ionization tandem mass spectral product ion library: development and application for identification of 240 pesticides in foods. Analytical chemistry 20120703
Environmental behavior of the chiral triazole fungicide fenbuconazole and its chiral metabolites: enantioselective transformation and degradation in soils. Environmental science & technology 20120306
Orchard factors associated with resistance and cross resistance to sterol demethylation inhibitor fungicides in populations of Venturia inaequalis from Pennsylvania. Phytopathology 20120301
Simultaneous enantioselective determination of triazole fungicides in soil and water by chiral liquid chromatography/tandem mass spectrometry. Journal of chromatography. A 20120210
Oligo-DNA custom macroarray for monitoring major pathogenic and non-pathogenic fungi and bacteria in the phyllosphere of apple trees. PloS one 20120101
Ovariectomized mouse uterotrophic assay of 36 chemicals. The Journal of toxicological sciences 20120101
Residue analysis and degradation studies of fenbuconazole and myclobutanil in strawberry by chiral high-performance liquid chromatography-tandem mass spectrometry. Journal of agricultural and food chemistry 20111123
Simultaneous enantioselective determination of fenbuconazole and its main metabolites in soil and water by chiral liquid chromatography/tandem mass spectrometry. Journal of chromatography. A 20110923
Enantiomeric separation of triazole fungicides with 3-μm and 5-μml particle chiral columns by reverse-phase high-performance liquid chromatography. Chirality 20110701
Comparative impact of artificial selection for fungicide resistance on Beauveria bassiana and Metarhizium brunneum. Environmental entomology 20110201
Evaluation of computational docking to identify pregnane X receptor agonists in the ToxCast database. Environmental health perspectives 20101001
High levels of miticides and agrochemicals in North American apiaries: implications for honey bee health. PloS one 20100101
Toxicity of six novel fungicides and sulphur to Galendromus occidentalis (Acari: Phytoseiidae). Experimental & applied acarology 20090101
On-line preconcentration and chiral separation of propiconazole by cyclodextrin-modified micellar electrokinetic chromatography. Journal of chromatography. A 20071102
Modulation of aromatase activity and mRNA by various selected pesticides in the human choriocarcinoma JEG-3 cell line. Toxicology 20061110
Inhibition of rainbow trout (Oncorhynchus mykiss) P450 aromatase activities in brain and ovarian microsomes by various environmental substances. Comparative biochemistry and physiology. Toxicology & pharmacology : CBP 20061101
Activation of alpha- and beta-estrogen receptors by persistent pesticides in reporter cell lines. Life sciences 20060815
The effect of fenbuconazole on cell proliferation and enzyme induction in the liver of female CD1 mice. Toxicology and applied pharmacology 20060715
Occurrence, Distribution, and Polymerase Chain Reaction-Based Detection of Resistance to Sterol Demethylation Inhibitor Fungicides in Populations of Blumeriella jaapii in Michigan. Phytopathology 20060701
Identification of new human pregnane X receptor ligands among pesticides using a stable reporter cell system. Toxicological sciences : an official journal of the Society of Toxicology 20060601
Quantification of voriconazole in plasma by liquid chromatography-tandem mass spectrometry. Clinical chemistry and laboratory medicine 20050101
Determination of 22 triazole compounds including parent fungicides and metabolites in apples, peaches, flour, and water by liquid chromatography/tandem mass spectrometry. Journal of AOAC International 20050101
Altered gene expression in human cells induced by the agricultural chemical Enable. Toxicology and industrial health 20040901
Application of liquid chromatography with electrospray tandem mass spectrometry to the determination of a new generation of pesticides in processed fruits and vegetables. Journal of chromatography. A 20040521
Sub-lethal effects of a copper sulfate fungicide on development and reproduction in three coccinellid species. Journal of insect science (Online) 20030101
The potential for enhanced fungicide resistance in Beauveria bassiana through strain discovery and artificial selection. Journal of invertebrate pathology 20021001
Comparative residual toxicities of pesticides to the predator Agistemus industani (Acari: Stigmaeidae) on citrus in Florida. Experimental & applied acarology 20010101
Responses of two ladybeetles to eight fungicides used in Florida citrus: implications for biological control. Journal of insect science (Online) 20010101
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