Basic information
- CAS
54966-45-9- Standard SMILES
O=C1CCC(Br)C(c2ccccc2)O1- InChIKey
DVVLDKOSVCKECT-UHFFFAOYSA-N- Molecular formula
- C11H11BrO2
- Average molar mass
- 255.11 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-6-phenyltetrahydro-2H-pyran-2-one
- IUPAC
- 5-bromo-6-phenyloxan-2-one
- English name
- 5-Bromo-6-phenyltetrahydro-2H-pyran-2-one
- Molecular formula
- C11H11BrO2
- Molecular weight
- 255.11
Names & synonyms
5-Bromo-6-phenyltetrahydro-2H-pyran-2-one2H-Pyran-2-one, 5-bromotetrahydro-6-phenyl-DVVLDKOSVCKECT-UHFFFAOYSA-N5-Bromo-6-phenyl-tetrahydro-pyran-2-oneDB-3175135-Bromo-6-phenyltetrahydro-2H-pyran-2-one #54966-45-95-Bromotetrahydro-6-phenyl-2H-pyran-2-one
Database identifiers
- CAS
54966-45-9- Nikkaji
- J140.366D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 396.6 · 396.6±42.0 °C(Predicted)
- Density
- 1.478 · 1.478±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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