2-Benzoyl-7-fluoronaphthalene-1-carboxylic acid
Basic information
- CAS
3799-81-3- Standard SMILES
O=C(c1ccccc1)c1ccc2ccc(F)cc2c1C(=O)O- InChIKey
ZWYFFQMUVNKEBH-UHFFFAOYSA-N- Molecular formula
- C18H11FO3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.06922237
Names & identifiers
- Preferred name
- 2-Benzoyl-7-fluoronaphthalene-1-carboxylic acid
- IUPAC
- 2-benzoyl-7-fluoronaphthalene-1-carboxylic acid
Names & synonyms
3799-81-32-benzoyl-7-fluoronaphthalene-1-carboxylic acidNSC408211DTXSID40325022NSC-408211DS-0039202-benzoyl-7-fluoro-naphthalene-1-carboxylic acid
Database identifiers
- CAS
3799-81-3- PubChem CID
- 348744
- DTXSID
DTXSID40325022
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
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