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Home Halogens Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-

Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-

CAS No.:
125116-23-6
Catalog Number:
AG000N7Z
Molecular Formula:
C17H22ClN3O
Molecular Weight:
319.8291
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Product Description
Catalog Number:
AG000N7Z
Chemical Name:
Cyclopentanol, 5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
125116-23-6
Molecular Formula:
C17H22ClN3O
Molecular Weight:
319.8291
MDL Number:
MFCD01632341
IUPAC Name:
5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
InChI:
InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3
InChI Key:
XWPZUHJBOLQNMN-UHFFFAOYSA-N
SMILES:
OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl
EC Number:
603-031-3
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.145g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
319.833g/mol
Monoisotopic Mass:
319.145g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
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
Meta-analysis of the effects of triazole-based fungicides on wheat yield and test weight as influenced by Fusarium head blight intensity. Phytopathology 20100201
Upscaled CTAB-based DNA extraction and real-time PCR assays for Fusarium culmorum and F. graminearum DNA in plant material with reduced sampling error. International journal of molecular sciences 20081101
Efficacy of triazole-based fungicides for fusarium head blight and deoxynivalenol control in wheat: a multivariate meta-analysis. Phytopathology 20080901
Bioaccumulation and biotransformation of chiral triazole fungicides in rainbow trout (Oncorhynchus mykiss). Aquatic toxicology (Amsterdam, Netherlands) 20061230
Properties