CAS 13278-36-9 | Benzoic acid, 2-[(3-chlorophenyl)amino]- | CAS Number 13278-36-9

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13278-36-9 | Benzoic acid, 2-[(3-chlorophenyl)amino]-

CAS No: 13278-36-9 Catalog No: AG001161 MDL No:MFCD01928172

Product Description

Catalog Number:

AG001161

Chemical Name:

Benzoic acid, 2-[(3-chlorophenyl)amino]-

CAS Number:

13278-36-9

Molecular Formula:

C13H10ClNO2

Molecular Weight:

247.6770

MDL Number:

MFCD01928172

IUPAC Name:

2-(3-chloroanilino)benzoic acid

InChI:

InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)

InChI Key:

OVMWPVYEBVFZHM-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)Nc1ccccc1C(=O)O

EC Number:

603-657-7

UNII:

LW9LF7L96X

NSC Number:

49135

Properties

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.678g/mol

Monoisotopic Mass:

247.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6

Literature

Title	Journal
Development of potent and selective inhibitors of aldo-keto reductase 1C3 (type 5 17β-hydroxysteroid dehydrogenase) based on N-phenyl-aminobenzoates and their structure-activity relationships.	Journal of medicinal chemistry 20120308
Thyroid hormone uptake by hepatocytes: structure-activity relationships of phenylanthranilic acids with inhibitory activity.	Journal of medicinal chemistry 19930430