2,3-Furandione, 5-(4-bromophenyl)-
Basic information
- CAS
55991-70-3- Standard SMILES
O=C1C=C(c2ccc(Br)cc2)OC1=O- InChIKey
HJSKNYAGXIDJEU-UHFFFAOYSA-N- Molecular formula
- C10H5BrO3
- Average molar mass
- 253.05 g/mol
- Monoisotopic mass
- 251.94221
Names & identifiers
- Preferred name
- 2,3-Furandione, 5-(4-bromophenyl)-
- IUPAC
- 5-(4-bromophenyl)furan-2,3-dione
Names & synonyms
5-(4-bromophenyl)furan-2,3-dione2,3-Furandione, 5-(4-bromophenyl)-55991-70-3DTXSID904815865-(p-bromophenyl)-furan-2,3-dioneAKOS0052248245-(4-Bromo-phenyl)-furan-2,3-dione
Database identifiers
- CAS
55991-70-3- PubChem CID
- 12232153
- DTXSID
DTXSID90481586- Nikkaji
- J500.527B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
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Compound notes
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