Home Aminos Benzoic acid, 3-amino-2-(phenylamino)-

Benzoic acid, 3-amino-2-(phenylamino)-

CAS No.:
116702-63-7
Catalog Number:
AG000D0H
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
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Product Description
Catalog Number:
AG000D0H
Chemical Name:
Benzoic acid, 3-amino-2-(phenylamino)-
CAS Number:
116702-63-7
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
MDL Number:
MFCD08056212
IUPAC Name:
3-amino-2-anilinobenzoic acid
InChI:
InChI=1S/C13H12N2O2/c14-11-8-4-7-10(13(16)17)12(11)15-9-5-2-1-3-6-9/h1-8,15H,14H2,(H,16,17)
InChI Key:
BIBXBQMYVSAURA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1Nc1ccccc1)N
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties