Basic information
- CAS
41498-12-8- Standard SMILES
O=C1CC(=O)C(Br)=C1Br- InChIKey
QSAOJLXFMVFXFP-UHFFFAOYSA-N- Molecular formula
- C5H2Br2O2
- Average molar mass
- 253.88 g/mol
- Monoisotopic mass
- 251.84215
Names & identifiers
- Preferred name
- 4,5-Dibromocyclopent-4-ene-1,3-dione
- IUPAC
- 4,5-dibromocyclopent-4-ene-1,3-dione
Names & synonyms
4,5-dibromocyclopent-4-ene-1,3-dione41498-12-8NSC 159435NSC159435DTXSID80303627NSC-159435
Database identifiers
- CAS
41498-12-8- PubChem CID
- 293117
- DTXSID
DTXSID80303627
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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