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

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

CAS No.:
131983-72-7
Catalog Number:
AG001006
Molecular Formula:
C17H20ClN3O
Molecular Weight:
317.8132
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥95%
1 week
United States
$91
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Product Description
Catalog Number:
AG001006
Chemical Name:
Cyclopentanol, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-1-(1H-1,2,4-triazol-1-ylmethyl)-
CAS Number:
131983-72-7
Molecular Formula:
C17H20ClN3O
Molecular Weight:
317.8132
MDL Number:
MFCD01632360
IUPAC Name:
(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
InChI:
InChI=1S/C17H20ClN3O/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/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9+
InChI Key:
PPDBOQMNKNNODG-NTEUORMPSA-N
SMILES:
OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C
EC Number:
603-543-7
Properties
Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
317.129g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
317.817g/mol
Monoisotopic Mass:
317.129g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Comparison of triticonazole dissipation after seed or soil treatment. Journal of environmental quality 20030101
Properties