2-(4-Fluorobenzoyl)naphthalene-1-carboxylic acid
Basic information
- CAS
3870-15-3- Standard SMILES
O=C(c1ccc(F)cc1)c1ccc2ccccc2c1C(=O)O- InChIKey
WZZGNSQXZZKCKM-UHFFFAOYSA-N- Molecular formula
- C18H11FO3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.06922237
Names & identifiers
- Preferred name
- 2-(4-Fluorobenzoyl)naphthalene-1-carboxylic acid
- IUPAC
- 2-(4-fluorobenzoyl)naphthalene-1-carboxylic acid
- English name
- 2-(4-Fluorobenzoyl)naphthalene-1-carboxylic acid
- Molecular formula
- C18H11FO3
- Molecular weight
- 294.28
Names & synonyms
2-(4-fluorobenzoyl)naphthalene-1-carboxylic acid3870-15-3NSC408212DTXSID00325023NSC-408212DS-0033552-(4-FLUOROBENZOYL)-1-NAPHTHOIC ACID1-Naphthalenecarboxylic acid, 2-(4-fluorobenzoyl)-
Database identifiers
- CAS
3870-15-3- PubChem CID
- 348745
- DTXSID
DTXSID00325023
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
- 428
Physicochemical properties
- Melting point
- 175 · 175.0-175.8 °C(Solv: benzene (71-43-2))
- Boiling point
- 531.8 · 531.8±35.0 °C(Predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Predicted)
- pka
- 3.02 · 3.02±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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