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20668-13-7 | Carbamic acid, N-(2-chlorophenyl)-, methyl ester
CAS No: 20668-13-7 Catalog No: AG002IMB MDL No:
Product Description
Catalog Number:
AG002IMB
Chemical Name:
Carbamic acid, N-(2-chlorophenyl)-, methyl ester
CAS Number:
20668-13-7
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
IUPAC Name:
methyl N-(2-chlorophenyl)carbamate
InChI:
InChI=1S/C8H8ClNO2/c1-12-8(11)10-7-5-3-2-4-6(7)9/h2-5H,1H3,(H,10,11)
InChI Key:
SJTVPRCAJODHGA-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1ccccc1Cl
UNII:
UKU5YTI0XJ
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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