Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride
Basic information
- CAS
5710-76-9- Standard SMILES
CCOc1ccc(C(=O)OCCC[NH+](CC)CC)cc1F.[Cl-]- InChIKey
DLEAKGSSRFHHMV-UHFFFAOYSA-N- Molecular formula
- C16H25ClFNO3
- Average molar mass
- 333.82 g/mol
- Monoisotopic mass
- 333.1506995
Names & identifiers
- Preferred name
- Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride
- IUPAC
- 3-(4-ethoxy-3-fluorobenzoyl)oxypropyl-diethylazanium chloride
Names & synonyms
BENZOIC ACID, 4-ETHOXY-3-FLUORO-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE5710-76-9RefChem:10791884-Ethoxy-3-fluorobenzoic acid 3-(diethylamino)propyl ester hydrochlorideFluoro-3 ethoxy-4 benzoate de gamma-diethylaminopropyle chlorhydrate [French]Fluoro-3 ethoxy-4 benzoate de gamma-diethylaminopropyle chlorhydrate
Database identifiers
- CAS
5710-76-9- PubChem CID
- 21934
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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