2-Butanone, 3,3-dibromo-
Basic information
- CAS
2648-69-3- Standard SMILES
CC(=O)C(C)(Br)Br- InChIKey
DNVZPZWJCRLJFI-UHFFFAOYSA-N- Molecular formula
- C4H6Br2O
- Average molar mass
- 229.9 g/mol
- Monoisotopic mass
- 227.87854
Names & identifiers
- Preferred name
- 2-Butanone, 3,3-dibromo-
- IUPAC
- 3,3-dibromobutan-2-one
- English name
- 3,3-Dibromobutane-2-one
- Molecular formula
- C4H6Br2O
- Molecular weight
- 229.9
Names & synonyms
3,3-dibromobutan-2-one2-Butanone, 3,3-dibromo-2648-69-33,3-Dibromo-2-butanoneSCHEMBL10884749DTXSID90181074InChI=1/C4H6Br2O/c1-3(7)4(2,5)6/h1-2H3,3-Dibromobutane-2-one
Database identifiers
- CAS
2648-69-3- PubChem CID
- 137665
- DTXSID
DTXSID90181074- Nikkaji
- J80.536J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 87.7
Physicochemical properties
- Boiling point
- 194.55 °C · 194.55°C (rough estimate)
- Density
- 1.8406 · 1.8406 (rough estimate)
- refractive index
- 1.5314 · 1.5314 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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