Basic information
- Standard SMILES
COC(=O)Cc1cc(C(=O)O)c2cc(F)ccc2c1- InChIKey
OKRRQYWZFFFZPZ-UHFFFAOYSA-N- Molecular formula
- C14H11FO4
- Average molar mass
- 262.23 g/mol
- Monoisotopic mass
- 262.06413699
Names & identifiers
- Preferred name
- 7-Fluoro-3-methoxycarbonylmethyl-naphthalene-1-carboxylic acid
- IUPAC
- 7-fluoro-3-(2-methoxy-2-oxoethyl)naphthalene-1-carboxylic acid
Names & synonyms
SCHEMBL2331533OKRRQYWZFFFZPZ-UHFFFAOYSA-N7-fluoro-3-methoxycarbonylmethyl-naphthalene-1-carboxylic acid
Database identifiers
- PubChem CID
- 59326730
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Related reactions
2 records
Compound notes
Loading…