Basic information
- CAS
63916-81-4- Standard SMILES
CC[NH+](CC)CCOC(=O)c1ccc(F)c(I)c1.[Cl-]- InChIKey
GFWHYXLNDSQZAF-UHFFFAOYSA-N- Molecular formula
- C13H18ClFINO2
- Average molar mass
- 401.64 g/mol
- Monoisotopic mass
- 401.00548
Names & identifiers
- Preferred name
- Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- diethyl-[2-(4-fluoro-3-iodobenzoyl)oxyethyl]azanium chloride
Names & synonyms
63916-81-4BENZOIC ACID, 4-FLUORO-3-IODO-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDERefChem:10791932-Diethylaminoethyl 4-fluoro-3-iodobenzoate hydrochloride
Database identifiers
- CAS
63916-81-4- PubChem CID
- 45241
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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