Basic information
- CAS
3829-94-5- Standard SMILES
CCOc1ccc(F)cc1C(=O)OCC[NH+](CC)CC.[Cl-]- InChIKey
FOWVFQXCESRBPI-UHFFFAOYSA-N- Molecular formula
- C15H23ClFNO3
- Average molar mass
- 319.8 g/mol
- Monoisotopic mass
- 319.1350495
Names & identifiers
- Preferred name
- Benzoic acid, 2-ethoxy-5-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- 2-(2-ethoxy-5-fluorobenzoyl)oxyethyl-diethylazanium chloride
Names & synonyms
BENZOIC ACID, 2-ETHOXY-5-FLUORO-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE3829-94-5RefChem:10789822-Ethoxy-5-fluorobenzoic acid 2-(diethylamino)ethyl ester hydrochlorideFluoro-5-ethoxy-2 benzoate de beta-diethylaminoethyle chlorhydrate [French]Fluoro-5-ethoxy-2 benzoate de beta-diethylaminoethyle chlorhydrate
Database identifiers
- CAS
3829-94-5- PubChem CID
- 19681
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…