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117081-91-1 | Carbamic acid, (3-chlorophenyl)-, 1-naphthalenyl ester (9CI)
CAS No: 117081-91-1 Catalog No: AG000DON MDL No:
Product Description
Catalog Number:
AG000DON
Chemical Name:
Carbamic acid, (3-chlorophenyl)-, 1-naphthalenyl ester (9CI)
CAS Number:
117081-91-1
Molecular Formula:
C17H12ClNO2
Molecular Weight:
297.7357
IUPAC Name:
naphthalen-1-yl N-(3-chlorophenyl)carbamate
InChI:
InChI=1S/C17H12ClNO2/c18-13-7-4-8-14(11-13)19-17(20)21-16-10-3-6-12-5-1-2-9-15(12)16/h1-11H,(H,19,20)
InChI Key:
UMJPWKQODJYEBM-UHFFFAOYSA-N
SMILES:
O=C(Oc1cccc2c1cccc2)Nc1cccc(c1)Cl
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.056g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.738g/mol
Monoisotopic Mass:
297.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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