4,5,6,7-Tetrabromo-3H-isobenzofuran-1-one
Basic information
- CAS
151450-62-3- Standard SMILES
O=C1OCc2c(Br)c(Br)c(Br)c(Br)c21- InChIKey
VJPFNMREYDOHSR-UHFFFAOYSA-N- Molecular formula
- C8H2Br4O2
- Average molar mass
- 449.72 g/mol
- Monoisotopic mass
- 445.67883
Names & identifiers
- Preferred name
- 4,5,6,7-Tetrabromo-3H-isobenzofuran-1-one
- IUPAC
- 4,5,6,7-tetrabromo-3H-2-benzofuran-1-one
- English name
- 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-
- Molecular formula
- C8H2Br4O2
- Molecular weight
- 449.72
Names & synonyms
SCHEMBL855672SCHEMBL29773643AKOS0244193104,5,6,7-TETRABROMO-3H-ISOBENZOFURAN-1-ONE1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-
Database identifiers
- CAS
151450-62-3- PubChem CID
- 444094
- EC Number
- 148-425-1
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 542.5 · 542.5±50.0 °C(Predicted)
- Density
- 2.632 · 2.632±0.06 g/cm3(Predicted)
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Compound notes
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