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3-amino-2-(phenylamino)benzoic acid

3-amino-2-(phenylamino)benzoic acid

CAS: 116702-63-7

Formula: C13H12N2O2

SMILES: NC1=C(NC2=CC=CC=C2)C(=CC=C1)C(O)=O

IUPAC: 3-amino-2-(phenylamino)benzoic 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)

Composition: C (68.41%), H (5.30%), N (12.27%), O (14.02%)

Molar Mass: 228.251

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 228.089877634
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey BIBXBQMYVSAURA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.5
Topological Polar Surface Area 75.35
Polarizability 24.52
Ring Count 2
Rotatable Bond Count 3

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