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113593-00-3 | Carbamic acid, (3-chlorophenyl)-, 1-methylheptyl ester (9CI)
CAS No: 113593-00-3 Catalog No: AG00093J MDL No:
Product Description
Catalog Number:
AG00093J
Chemical Name:
Carbamic acid, (3-chlorophenyl)-, 1-methylheptyl ester (9CI)
CAS Number:
113593-00-3
Molecular Formula:
C15H22ClNO2
Molecular Weight:
283.7937
IUPAC Name:
octan-2-yl N-(3-chlorophenyl)carbamate
InChI:
InChI=1S/C15H22ClNO2/c1-3-4-5-6-8-12(2)19-15(18)17-14-10-7-9-13(16)11-14/h7,9-12H,3-6,8H2,1-2H3,(H,17,18)
InChI Key:
SGHJXXGLLYCWCR-UHFFFAOYSA-N
SMILES:
CCCCCCC(OC(=O)Nc1cccc(c1)Cl)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.134g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.796g/mol
Monoisotopic Mass:
283.134g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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