2-(4-Fluoro-3-nitrobenzoyl)benzoic acid
Basic information
- CAS
633-93-2- Standard SMILES
O=C(O)c1ccccc1C(=O)c1ccc(F)c([N+](=O)[O-])c1- InChIKey
CKAKIHRIUBAWGM-UHFFFAOYSA-N- Molecular formula
- C14H8FNO5
- Average molar mass
- 289.21 g/mol
- Monoisotopic mass
- 289.03865052
Names & identifiers
- Preferred name
- 2-(4-Fluoro-3-nitrobenzoyl)benzoic acid
- IUPAC
- 2-(4-fluoro-3-nitrobenzoyl)benzoic acid
Names & synonyms
2-(4-FLUORO-3-NITROBENZOYL)BENZOIC ACID633-93-2CHEMBL312800DTXSID90659187
Database identifiers
- CAS
633-93-2- PubChem CID
- 44461978
- DTXSID
DTXSID90659187- ChEMBL
CHEMBL312800
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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