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Home Halogens Carbamic acid, (3-chloro-4-hydroxyphenyl)-, 1-methylethyl ester (9CI)

Carbamic acid, (3-chloro-4-hydroxyphenyl)-, 1-methylethyl ester (9CI)

CAS No.:
28705-96-6
Catalog Number:
AG002W6C
Molecular Formula:
C10H12ClNO3
Molecular Weight:
229.6602
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Product Description
Catalog Number:
AG002W6C
Chemical Name:
Carbamic acid, (3-chloro-4-hydroxyphenyl)-, 1-methylethyl ester (9CI)
CAS Number:
28705-96-6
Molecular Formula:
C10H12ClNO3
Molecular Weight:
229.6602
MDL Number:
MFCD20414567
IUPAC Name:
propan-2-yl N-(3-chloro-4-hydroxyphenyl)carbamate
InChI:
InChI=1S/C10H12ClNO3/c1-6(2)15-10(14)12-7-3-4-9(13)8(11)5-7/h3-6,13H,1-2H3,(H,12,14)
InChI Key:
LODWUFQKCTUNBU-UHFFFAOYSA-N
SMILES:
CC(OC(=O)Nc1ccc(c(c1)Cl)O)C
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.66g/mol
Monoisotopic Mass:
229.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Chlorpropham induces mitochondrial dysfunction in rat hepatocytes. Toxicology 20040805
Biotransformation of chlorpropham (CIPC) in isolated rat hepatocytes and xenoestrogenic activity of CIPC and its metabolites by in vitro assays. Xenobiotica; the fate of foreign compounds in biological systems 20040301
Properties