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144334-82-7 | Benzoic acid, 3,3'-methylenebis[6-[(2-nitrobenzoyl)amino]-
CAS No: 144334-82-7 Catalog No: AG001JC6 MDL No:
Product Description
Catalog Number:
AG001JC6
Chemical Name:
Benzoic acid, 3,3'-methylenebis[6-[(2-nitrobenzoyl)amino]-
CAS Number:
144334-82-7
Molecular Formula:
C29H20N4O10
Molecular Weight:
584.4899
IUPAC Name:
5-[[3-carboxy-4-[(2-nitrobenzoyl)amino]phenyl]methyl]-2-[(2-nitrobenzoyl)amino]benzoic acid
InChI:
InChI=1S/C29H20N4O10/c34-26(18-5-1-3-7-24(18)32(40)41)30-22-11-9-16(14-20(22)28(36)37)13-17-10-12-23(21(15-17)29(38)39)31-27(35)19-6-2-4-8-25(19)33(42)43/h1-12,14-15H,13H2,(H,30,34)(H,31,35)(H,36,37)(H,38,39)
InChI Key:
MEUQDIYTPKRQMW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1NC(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(c(c1)C(=O)O)NC(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
993
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.118g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
584.497g/mol
Monoisotopic Mass:
584.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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