Basic information
- CAS
23078-55-9- Standard SMILES
CC1(C)C(Br)=C(Br)C(=O)C1Br- InChIKey
GDOWPVPCUGJNFA-UHFFFAOYSA-N- Molecular formula
- C7H7Br3O
- Average molar mass
- 346.84 g/mol
- Monoisotopic mass
- 343.8047
Names & identifiers
- Preferred name
- 2,3,5-Tribromo-4,4-dimethylcyclopent-2-en-1-one
- IUPAC
- 2,3,5-tribromo-4,4-dimethylcyclopent-2-en-1-one
- English name
- 2,3,5-TRIBROMO-4,4-DIMETHYLCYCLOPENT-2-EN-1-ONE
- Molecular formula
- C7H7Br3O
- Molecular weight
- 346.84
Names & synonyms
2,3,5-tribromo-4,4-dimethylcyclopent-2-en-1-one23078-55-9DTXSID80380357RefChem:244164DTXCID203313832-Cyclopenten-1-one, 2,3,5-tribromo-4,4-dimethyl-DB-004226
Database identifiers
- CAS
23078-55-9- PubChem CID
- 2777060
- DTXSID
DTXSID80380357
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 87 °C · 87 °C
- Boiling point
- 301.2 · 301.2±42.0 °C(Predicted)
- Density
- 2.223 · 2.223±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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