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prothioconazole-desthio

CAS No.:
120983-64-4
Catalog Number:
AG008S6P
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008S6P
Chemical Name:
prothioconazole-desthio
CAS Number:
120983-64-4
MDL Number:
MFCD11616777
IUPAC Name:
2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
InChI:
InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2
InChI Key:
HHUQPWODPBDTLI-UHFFFAOYSA-N
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.059g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.194g/mol
Monoisotopic Mass:
311.059g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Prothioconazole and prothioconazole-desthio activities against Candida albicans sterol 14-α-demethylase. Applied and environmental microbiology 20130301
Properties