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Home Aminos 3-(phenylamino)benzoic acid

3-(phenylamino)benzoic acid

CAS No.:
6025-56-5
Catalog Number:
AG01AI7F
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
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Product Description
Catalog Number:
AG01AI7F
Chemical Name:
3-(phenylamino)benzoic acid
CAS Number:
6025-56-5
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD19381866
IUPAC Name:
3-anilinobenzoic acid
InChI:
InChI=1S/C13H11NO2/c15-13(16)10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H,(H,15,16)
InChI Key:
RCHSJRJPIWLNPN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Nc1ccccc1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
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
Discovery of substituted 3-(phenylamino)benzoic acids as potent and selective inhibitors of type 5 17β-hydroxysteroid dehydrogenase (AKR1C3). Bioorganic & medicinal chemistry letters 20110301
Properties