1-Benzoyl-7-fluoronaphthalene-2-carboxylic acid
Basic information
- CAS
3799-82-4- Standard SMILES
O=C(O)c1ccc2ccc(F)cc2c1C(=O)c1ccccc1- InChIKey
YLIUCAQSHLOQND-UHFFFAOYSA-N- Molecular formula
- C18H11FO3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.06922237
Names & identifiers
- Preferred name
- 1-Benzoyl-7-fluoronaphthalene-2-carboxylic acid
- IUPAC
- 1-benzoyl-7-fluoronaphthalene-2-carboxylic acid
Names & synonyms
3799-82-42-Naphthalenecarboxylicacid, 1-benzoyl-7-fluoro-1-benzoyl-7-fluoronaphthalene-2-carboxylic acidNSC409633DTXSID50325316NSC-409633
Database identifiers
- CAS
3799-82-4- PubChem CID
- 349787
- DTXSID
DTXSID50325316
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
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…