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13278-32-5 | Benzoic acid, 2-[(2-methoxyphenyl)amino]-
CAS No: 13278-32-5 Catalog No: AG001163 MDL No:MFCD00477470
Product Description
Catalog Number:
AG001163
Chemical Name:
Benzoic acid, 2-[(2-methoxyphenyl)amino]-
CAS Number:
13278-32-5
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
MDL Number:
MFCD00477470
IUPAC Name:
2-(2-methoxyanilino)benzoic acid
InChI:
InChI=1S/C14H13NO3/c1-18-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14(16)17/h2-9,15H,1H3,(H,16,17)
InChI Key:
FPIMZRVJKYCPAX-UHFFFAOYSA-N
SMILES:
COc1ccccc1Nc1ccccc1C(=O)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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 |
| 2-Meth-oxy-9-phenoxy-acridine. | Acta crystallographica. Section E, Structure reports online 20100401 |
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