2-(3-Nitrobenzoyl)benzoic acid
Basic information
- CAS
2159-38-8- Standard SMILES
O=C(O)c1ccccc1C(=O)c1cccc([N+](=O)[O-])c1- InChIKey
SQDUMZPMFYAAOC-UHFFFAOYSA-N- Molecular formula
- C14H9NO5
- Average molar mass
- 271.22 g/mol
- Monoisotopic mass
- 271.04807239
Names & identifiers
- Preferred name
- 2-(3-Nitrobenzoyl)benzoic acid
- IUPAC
- 2-(3-nitrobenzoyl)benzoic acid
- English name
- Benzoicacid, 2-(3-nitrobenzoyl)-
- Molecular formula
- C14H9NO5
- Molecular weight
- 271.23
Names & synonyms
2-(3-nitrobenzoyl)benzoic acid2159-38-8NSC-557782-[(3-nitrophenyl)carbonyl]benzoic acidNSC55778NCIOpen2_002234SCHEMBL6632890CHEMBL2059071DTXSID30288415SBB023380STK350539AKOS000313032
Show more names
Benzoicacid, 2-(3-nitrobenzoyl)-
AKOS015922665DA-08179ST45057473
Database identifiers
- CAS
2159-38-8- PubChem CID
- 244684
- DTXSID
DTXSID30288415- ChEMBL
CHEMBL2059071
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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