Basic information
- CAS
51908-41-9- Standard SMILES
O=C(CCC(=O)c1ccc(Br)cc1)c1ccccc1- InChIKey
RYONDSHGSYUSFB-UHFFFAOYSA-N- Molecular formula
- C16H13BrO2
- Average molar mass
- 317.18 g/mol
Names & identifiers
- Preferred name
- 1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-
- IUPAC
- 1-(4-bromophenyl)-4-phenylbutane-1,4-dione
- English name
- 1-Phenyl-4-(4-bromophenyl)butane-1,4-dione
- Molecular formula
- C16H13BrO2
- Molecular weight
- 317.18
Names & synonyms
1,4-Butanedione, 1-(4-bromophenyl)-4-phenyl-1-PHENYL-4-(4-BROMOPHENYL)BUTANE-1,4-DIONERYONDSHGSYUSFB-UHFFFAOYSA-NDB-2800591-(4-Bromophenyl)-4-phenyl-1,4-butanedione #51908-41-91-(4-Bromophenyl)-4-phenylbutane-1,4-dione1-(4-Bromophenyl)-4-phenyl-1,4-butanedione
Database identifiers
- CAS
51908-41-9- Nikkaji
- J143.947B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 108 · 108-110 °C
- Boiling point
- 456.4 · 456.4±30.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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