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17425-16-0 | Carbamic acid, (2-chlorophenyl)-, butyl ester (9CI)
CAS No: 17425-16-0 Catalog No: AG001ZK8 MDL No:
Product Description
Catalog Number:
AG001ZK8
Chemical Name:
Carbamic acid, (2-chlorophenyl)-, butyl ester (9CI)
CAS Number:
17425-16-0
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
IUPAC Name:
butyl N-(2-chlorophenyl)carbamate
InChI:
InChI=1S/C11H14ClNO2/c1-2-3-8-15-11(14)13-10-7-5-4-6-9(10)12/h4-7H,2-3,8H2,1H3,(H,13,14)
InChI Key:
XISWHCXHSBZTJT-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Nc1ccccc1Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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