Octyl 2-bromobutanoate
Basic information
- CAS
86711-84-4- Standard SMILES
CCCCCCCCOC(=O)C(Br)CC- InChIKey
GYJWHDFXRDXRGT-UHFFFAOYSA-N- Molecular formula
- C12H23BrO2
- Average molar mass
- 279.21 g/mol
- Monoisotopic mass
- 278.08814
Names & identifiers
- Preferred name
- Octyl 2-bromobutanoate
- IUPAC
- octyl 2-bromobutanoate
Names & synonyms
Octyl 2-bromobutanoateDTXSID2033582686711-84-4RefChem:366911DTXCID70286915GYJWHDFXRDXRGT-UHFFFAOYSA-NSCHEMBL22091799
Database identifiers
- CAS
86711-84-4- PubChem CID
- 527520
- DTXSID
DTXSID20335826
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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