2,2,4,5-Tetrabromocyclopent-4-ene-1,3-dione
Basic information
- CAS
18838-41-0- Standard SMILES
O=C1C(Br)=C(Br)C(=O)C1(Br)Br- InChIKey
JVROKIVKBQCTIW-UHFFFAOYSA-N- Molecular formula
- C5Br4O2
- Average molar mass
- 411.67 g/mol
- Monoisotopic mass
- 407.66318
Names & identifiers
- Preferred name
- 2,2,4,5-Tetrabromocyclopent-4-ene-1,3-dione
- IUPAC
- 2,2,4,5-tetrabromocyclopent-4-ene-1,3-dione
Names & synonyms
18838-41-0NSC 1594362,2,4,5-tetrabromocyclopent-4-ene-1,3-dioneNSC159436DTXSID40303628NSC-159436
Database identifiers
- CAS
18838-41-0- PubChem CID
- 293118
- DTXSID
DTXSID40303628
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 252
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Compound notes
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