Basic information
- CAS
53626-84-9- Standard SMILES
C=C(Br)CC1CCCCC1=O- InChIKey
LRNZOMPQZZAWCB-UHFFFAOYSA-N- Molecular formula
- C9H13BrO
- Average molar mass
- 217.1 g/mol
- Monoisotopic mass
- 216.01498
Names & identifiers
- Preferred name
- 2-(2-Bromoprop-2-en-1-yl)cyclohexan-1-one
- IUPAC
- 2-(2-bromoprop-2-enyl)cyclohexan-1-one
Names & synonyms
53626-84-92-(2-Bromoprop-2-en-1-yl)cyclohexan-1-oneDTXSID10302507RefChem:250515DTXCID10253641NSC151702AKOS015906540NSC-1517022-(2-bromo-prop-2-enyl)-cyclohexan-1-one
Database identifiers
- CAS
53626-84-9- PubChem CID
- 289529
- DTXSID
DTXSID10302507- Nikkaji
- J1.892.429C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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