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132640-12-1 | 1,3-Benzenedicarboxylic acid, 5-[(4-nitrobenzoyl)amino]-
CAS No: 132640-12-1 Catalog No: AG0010XA MDL No:
Product Description
Catalog Number:
AG0010XA
Chemical Name:
1,3-Benzenedicarboxylic acid, 5-[(4-nitrobenzoyl)amino]-
CAS Number:
132640-12-1
Molecular Formula:
C15H10N2O7
Molecular Weight:
330.2491
IUPAC Name:
5-[(4-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C15H10N2O7/c18-13(8-1-3-12(4-2-8)17(23)24)16-11-6-9(14(19)20)5-10(7-11)15(21)22/h1-7H,(H,16,18)(H,19,20)(H,21,22)
InChI Key:
REXGWFDACQNFQT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Nc1cc(cc(c1)C(=O)O)C(=O)O
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.049g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.252g/mol
Monoisotopic Mass:
330.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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