Methyl 3-fluoro-2-(naphthalene-1-carbonyl)benzoate
Basic information
- CAS
1997-08-6- Standard SMILES
COC(=O)c1cccc(F)c1C(=O)c1cccc2ccccc12- InChIKey
ZYMDKJPWADVWPM-UHFFFAOYSA-N- Molecular formula
- C19H13FO3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.08487243
Names & identifiers
- Preferred name
- Methyl 3-fluoro-2-(naphthalene-1-carbonyl)benzoate
- IUPAC
- methyl 3-fluoro-2-(naphthalene-1-carbonyl)benzoate
Names & synonyms
MLS0026932711997-08-6methyl 3-fluoro-2-(naphthalene-1-carbonyl)benzoateNSC60078NCIOpen2_007861CHEMBL1885567DTXSID10289283HMS3080H10NSC-60078SMR001559230
Database identifiers
- CAS
1997-08-6- PubChem CID
- 246704
- DTXSID
DTXSID10289283- ChEMBL
CHEMBL1885567
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…