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144344-60-5 | Benzoic acid, 4-[[(4-carboxyphenyl)azo](phenylhydrazono)methyl]- (9CI)
CAS No: 144344-60-5 Catalog No: AG001JDP MDL No:
Product Description
Catalog Number:
AG001JDP
Chemical Name:
Benzoic acid, 4-[[(4-carboxyphenyl)azo](phenylhydrazono)methyl]- (9CI)
CAS Number:
144344-60-5
Molecular Formula:
C21H16N4O4
Molecular Weight:
388.3761
IUPAC Name:
4-[N'-anilino-N-(4-carboxyphenyl)iminocarbamimidoyl]benzoic acid
InChI:
InChI=1S/C21H16N4O4/c26-20(27)15-8-6-14(7-9-15)19(24-22-17-4-2-1-3-5-17)25-23-18-12-10-16(11-13-18)21(28)29/h1-13,22H,(H,26,27)(H,28,29)
InChI Key:
LJLHONYYINMOOH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)N=NC(=NNc1ccccc1)c1ccc(cc1)C(=O)O
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.117g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
388.383g/mol
Monoisotopic Mass:
388.117g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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