4-(3,5-Dinitrobenzoyl)benzoic acid
Basic information
- CAS
500293-69-6- Standard SMILES
O=C(O)c1ccc(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1- InChIKey
JGWJPMYOQRTWEX-UHFFFAOYSA-N- Molecular formula
- C14H8N2O7
- Average molar mass
- 316.22 g/mol
- Monoisotopic mass
- 316.0331506
Names & identifiers
- Preferred name
- 4-(3,5-Dinitrobenzoyl)benzoic acid
- IUPAC
- 4-(3,5-dinitrobenzoyl)benzoic acid
Names & synonyms
MLS0026946874-(3,5-dinitrobenzoyl)benzoic acidNSC86522NCIOpen2_009461CHEMBL2133100DTXSID801297973HMS3087I11NSC-86522500293-69-6SMR001560612
Database identifiers
- CAS
500293-69-6- PubChem CID
- 257905
- DTXSID
DTXSID801297973- ChEMBL
CHEMBL2133100
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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