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10166-39-9 | Benzoic acid, 2-[(2-chlorophenyl)amino]-
CAS No: 10166-39-9 Catalog No: AG00054F MDL No:
Product Description
Catalog Number:
AG00054F
Chemical Name:
Benzoic acid, 2-[(2-chlorophenyl)amino]-
CAS Number:
10166-39-9
Molecular Formula:
C13H10ClNO2
Molecular Weight:
247.6770
IUPAC Name:
2-(2-chloroanilino)benzoic acid
InChI:
InChI=1S/C13H10ClNO2/c14-10-6-2-4-8-12(10)15-11-7-3-1-5-9(11)13(16)17/h1-8,15H,(H,16,17)
InChI Key:
VCLVQYVABOAOBV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1ccccc1Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.04g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.678g/mol
Monoisotopic Mass:
247.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Thyroid hormone uptake by hepatocytes: structure-activity relationships of phenylanthranilic acids with inhibitory activity. | Journal of medicinal chemistry 19930430 |
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