Basic information
- CAS
2341-58-4- Standard SMILES
O=C(O)c1ccccc1Cc1ccc(F)c2ccccc12- InChIKey
OHVSTMNYOCSAFF-UHFFFAOYSA-N- Molecular formula
- C18H13FO2
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.08995782
Names & identifiers
- Preferred name
- o-Toluic acid, alpha-(4-fluoro-1-naphthyl)-
- IUPAC
- 2-[(4-fluoronaphthalen-1-yl)methyl]benzoic acid
Names & synonyms
o-Toluic acid, alpha-(4-fluoro-1-naphthyl)-2341-58-4MLS002920332NSC-1359372-[(4-fluoronaphthalen-1-yl)methyl]benzoic acidNSC 135937GH62SSE5MUCHEMBL2140760DTXSID80177966NSC135937SMR0017979272-[(4-Fluoro-1-naphthalenyl)methyl]benzoic acid
Show more names
Benzoic acid, 2-[(4-fluoro-1-naphthalenyl)methyl]-
Database identifiers
- CAS
2341-58-4- PubChem CID
- 97604
- DTXSID
DTXSID80177966- ChEMBL
CHEMBL2140760- UNII
- GH62SSE5MU
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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