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1026-33-1 | Benzoic acid, 4-chloro-2-[(phenylmethyl)amino]-
CAS No: 1026-33-1 Catalog No: AG0007W0 MDL No:
Product Description
Catalog Number:
AG0007W0
Chemical Name:
Benzoic acid, 4-chloro-2-[(phenylmethyl)amino]-
CAS Number:
1026-33-1
Molecular Formula:
C14H12ClNO2
Molecular Weight:
261.7036
IUPAC Name:
2-(benzylamino)-4-chlorobenzoic acid
InChI:
InChI=1S/C14H12ClNO2/c15-11-6-7-12(14(17)18)13(8-11)16-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18)
InChI Key:
JHRXFPUUMCFNLQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)NCc1ccccc1)C(=O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.705g/mol
Monoisotopic Mass:
261.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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