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Home Halogens Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-

Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-

CAS No.:
116255-48-2
Catalog Number:
AG000C20
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG000C20
Chemical Name:
Pentitol, 2,5-anhydro-4-bromo-1,3,4-trideoxy-2-C-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-
CAS Number:
116255-48-2
MDL Number:
MFCD01678688
IUPAC Name:
1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
InChI:
InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2
InChI Key:
HJJVPARKXDDIQD-UHFFFAOYSA-N
RTECS Number:
XZ4130000
UN Number:
3077
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.954g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.063g/mol
Monoisotopic Mass:
374.954g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Effects of host physiology on the development of core rot, caused by alternaria alternata, in Red Delicious apples. Phytopathology 20120801
HPLC-MS/MS enantioseparation of triazole fungicides using polysaccharide-based stationary phases. Journal of separation science 20120401
Triazole fungicides can induce cross-resistance to medical triazoles in Aspergillus fumigatus. PloS one 20120101
Role of fungicides, application of nozzle types, and the resistance level of wheat varieties in the control of Fusarium head blight and deoxynivalenol. Toxins 20111101
Determination of azoles in sewage sludge from Spanish wastewater treatment plants by liquid chromatography-tandem mass spectrometry. Journal of separation science 20110601
Simultaneous enantioseparation of cyproconazole, bromuconazole, and diniconazole enantiomers by CD-modified MEKC. Electrophoresis 20090601
Characterization of type II ligands in CYP2C9 and CYP3A4. Journal of medicinal chemistry 20080327
Bioaccumulation and biotransformation of chiral triazole fungicides in rainbow trout (Oncorhynchus mykiss). Aquatic toxicology (Amsterdam, Netherlands) 20061230
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
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
Properties