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27696-24-8 | Benzoic acid, 2-[(2-aminophenyl)amino]-
CAS No: 27696-24-8 Catalog No: AG002UHT MDL No:
Product Description
Catalog Number:
AG002UHT
Chemical Name:
Benzoic acid, 2-[(2-aminophenyl)amino]-
CAS Number:
27696-24-8
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
2-(2-aminoanilino)benzoic acid
InChI:
InChI=1S/C13H12N2O2/c14-10-6-2-4-8-12(10)15-11-7-3-1-5-9(11)13(16)17/h1-8,15H,14H2,(H,16,17)
InChI Key:
IVGNITNPTLTGIT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1Nc1ccccc1N
Properties
Complexity:
270
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
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