Basic information
- CAS
3870-18-6- Standard SMILES
O=C(O)c1ccccc1C(=O)c1ccc(F)c2ccccc12- InChIKey
DSPCPTRDZWFYJM-UHFFFAOYSA-N- Molecular formula
- C18H11FO3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.06922237
Names & identifiers
- Preferred name
- 2-[(4-Fluoronaphthalen-1-yl)carbonyl]benzoic acid
- IUPAC
- 2-(4-fluoronaphthalene-1-carbonyl)benzoic acid
Names & synonyms
3870-18-6Benzoic acid,2-[(4-fluoro-1-naphthalenyl)carbonyl]-2-(4-fluoronaphthalene-1-carbonyl)benzoic acid2-[(4-fluoronaphthalen-1-yl)carbonyl]benzoic acidNSC97671DTXSID40294704NSC-97671
Database identifiers
- CAS
3870-18-6- PubChem CID
- 263287
- DTXSID
DTXSID40294704
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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