2-Bromo-1,4-diphenyl-1,4-butanedione
Basic information
- CAS
63104-99-4- Standard SMILES
O=C(CC(Br)C(=O)c1ccccc1)c1ccccc1- InChIKey
POAJBEKARGGZCV-UHFFFAOYSA-N- Molecular formula
- C16H13BrO2
- Average molar mass
- 317.18 g/mol
- Monoisotopic mass
- 316.00989
Names & identifiers
- Preferred name
- 2-Bromo-1,4-diphenyl-1,4-butanedione
- IUPAC
- 2-bromo-1,4-diphenylbutane-1,4-dione
Names & synonyms
2-Bromo-1,4-diphenyl-1,4-butanedione63104-99-42-bromo-1,4-diphenylbutane-1,4-dioneNSC1549851, 2-bromo-1,4-diphenyl-DTXSID10302906NSC-1549852-bromo-1,4-diphenyl-butane-1,4-dione
Database identifiers
- CAS
63104-99-4- PubChem CID
- 290780
- DTXSID
DTXSID10302906- Nikkaji
- J763.959G
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 315
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Related reactions
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Compound notes
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