Basic information
- CAS
371-28-8- Standard SMILES
O=C(CCCF)OCCCl- InChIKey
RBTZOCMNAYPQLS-UHFFFAOYSA-N- Molecular formula
- C6H10ClFO2
- Average molar mass
- 168.59 g/mol
- Monoisotopic mass
- 168.0353354
Names & identifiers
- Preferred name
- Butanoic acid, 4-fluoro-, 2-chloroethyl ester
- IUPAC
- 2-chloroethyl 4-fluorobutanoate
- English name
- 4-Fluorobutyric acid 2-chloroethyl ester
- Molecular weight
- 0
Names & synonyms
371-28-8RefChem:1080344Butanoic acid, 4-fluoro-, 2-chloroethyl ester2-chloroethyl 4-fluorobutanoate2-Chloroethyl gamma-fluorobutyrateBRN 1756086BUTYRIC ACID, 4-FLUORO-, 2-CHLOROETHYL ESTERDTXSID70958266AKOS0063845324-Fluorobutyric acid 2-chloroethyl ester
Database identifiers
- CAS
371-28-8- PubChem CID
- 9729
- DTXSID
DTXSID70958266- Nikkaji
- J42.914G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 97.7
Physicochemical properties
- Boiling point
- 165.5 °C · 165.5°C (rough estimate)
- Density
- 1.1693 · 1.1693 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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