Basic information
- CAS
1993-97-1- Standard SMILES
O=C(c1ccc2ccccc2c1)c1cccc(F)c1C(=O)O- InChIKey
IZZWXQCIMVPLIK-UHFFFAOYSA-N- Molecular formula
- C18H11FO3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.06922237
Names & identifiers
- Preferred name
- 2-Fluoro-6-(naphthalen-2-ylcarbonyl)benzoic acid
- IUPAC
- 2-fluoro-6-(naphthalene-2-carbonyl)benzoic acid
Names & synonyms
1993-97-1NSC 976732-fluoro-6-(naphthalen-2-ylcarbonyl)benzoic acidNSC976732-fluoro-6-(naphthalene-2-carbonyl)benzoic acidCHEMBL2135394DTXSID60294706NSC-97673SMR001797928
Database identifiers
- CAS
1993-97-1- PubChem CID
- 263289
- DTXSID
DTXSID60294706- ChEMBL
CHEMBL2135394
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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