Basic information
- CAS
28456-82-8- Standard SMILES
CCCCCCOC(=O)C(C)Br- InChIKey
CVIVDRZPZOBMDR-UHFFFAOYSA-N- Molecular formula
- C9H17BrO2
- Average molar mass
- 237.13 g/mol
- Monoisotopic mass
- 236.04119
Names & identifiers
- Preferred name
- Hexyl 2-bromopropanoate
- IUPAC
- hexyl 2-bromopropanoate
Names & synonyms
Hexyl 2-bromopropanoate28456-82-8DTXSID10334328Propanoic acid, 2-bromo, hexyl esterRefChem:347763DTXCID202854182-Bromopropionic acid, hexyl esterCVIVDRZPZOBMDR-UHFFFAOYSA-N2- Bromopropionic acid, hexyl esterSCHEMBL52465
Database identifiers
- CAS
28456-82-8- PubChem CID
- 520376
- DTXSID
DTXSID10334328- Nikkaji
- J506.217I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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