Hexyl 3-bromopropanoate
Basic information
- CAS
6282-50-4- Standard SMILES
CCCCCCOC(=O)CCBr- InChIKey
SKMQINQBZSMTFL-UHFFFAOYSA-N- Molecular formula
- C9H17BrO2
- Average molar mass
- 237.13 g/mol
- Monoisotopic mass
- 236.04119
Names & identifiers
- Preferred name
- Hexyl 3-bromopropanoate
- IUPAC
- hexyl 3-bromopropanoate
- English name
- Propanoic acid, 3-bromo-, hexylester
- Molecular formula
- C9H17BrO2
- Molecular weight
- 237.13
Names & synonyms
Hexyl 3-bromopropanoate6282-50-4DTXSID80278306RefChem:347768DTXCID30229464SKMQINQBZSMTFL-UHFFFAOYSA-NNSC6991SCHEMBL11373222NSC-6991Propanoic acid, 3-bromo-, hexylester
Database identifiers
- CAS
6282-50-4- PubChem CID
- 221885
- DTXSID
DTXSID80278306
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 241.4 · 241.4±13.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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