Basic information
- CAS
15247-71-9- Standard SMILES
Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1[N+](=O)[O-]- InChIKey
JVUODQSMSGPNQS-UHFFFAOYSA-N- Molecular formula
- C15H11NO5
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.06372245
Names & identifiers
- Preferred name
- 2-(4-Methyl-3-nitrobenzoyl)benzoic acid
- IUPAC
- 2-(4-methyl-3-nitrobenzoyl)benzoic acid
Names & synonyms
2-(4-methyl-3-nitrobenzoyl)benzoic acid15247-71-92-[(4-methyl-3-nitrophenyl)carbonyl]benzoic acidSBB0233812-(4-methyl-3-nitro-benzoyl)benzoic acidBenzoic acid, 2-(4-methyl-3-nitrobenzoyl)-SCHEMBL5216739DTXSID70332587o-(3-Nitro-p-toluyl)benzoic acidMFCD01846420STK350540AKOS000313042
Show more names
AKOS015922666CS-0279659ST45106561EN300-230460
Database identifiers
- CAS
15247-71-9- PubChem CID
- 458971
- DTXSID
DTXSID70332587
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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