Basic information
- CAS
132640-12-1- Standard SMILES
O=C(O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c1- InChIKey
REXGWFDACQNFQT-UHFFFAOYSA-N- Molecular formula
- C15H10N2O7
- Average molar mass
- 330.25 g/mol
- Monoisotopic mass
- 330.04880066
Names & identifiers
- Preferred name
- 1,3-Benzenedicarboxylic acid, 5-[(4-nitrobenzoyl)amino]-
- IUPAC
- 5-[(4-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
Names & synonyms
132640-12-15-(4-NITROBENZAMIDO)BENZENE-1,3-DICARBOXYLIC ACID1,3-Benzenedicarboxylic acid, 5-[(4-nitrobenzoyl)amino]-5-[(4-Nitrobenzoyl)amino]isophthalic acidSTK0118085-({4-nitrobenzoyl}amino)isophthalic acid5-[(4-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acidOprea1_702498Oprea1_744011CBDivE_005548CHEMBL121389SCHEMBL9337421
Show more names
DTXSID50353654AKOS000737247G55304AK-918/40019920EN300-282575015-{[(4-nitrophenyl)carbonyl]amino}benzene-1,3-dicarboxylic acid
Database identifiers
- CAS
132640-12-1- PubChem CID
- 747442
- DTXSID
DTXSID50353654- ChEMBL
CHEMBL121389- Nikkaji
- J509.479H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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