2,3-Dibromo-1-phenyl-4-(4-propan-2-ylphenyl)butane-1,4-dione
Basic information
- CAS
6313-06-0- Standard SMILES
CC(C)c1ccc(C(=O)C(Br)C(Br)C(=O)c2ccccc2)cc1- InChIKey
ZFEPJPWLJHRYCN-UHFFFAOYSA-N- Molecular formula
- C19H18Br2O2
- Average molar mass
- 438.2 g/mol
- Monoisotopic mass
- 435.96735
Names & identifiers
- Preferred name
- 2,3-Dibromo-1-phenyl-4-(4-propan-2-ylphenyl)butane-1,4-dione
- IUPAC
- 2,3-dibromo-1-phenyl-4-(4-propan-2-ylphenyl)butane-1,4-dione
- English name
- 2,3-dibromo-1-phenyl-4-(4-propan-2-ylphenyl)butane-1,4-dione
- Molecular formula
- C19H18Br2O2
- Molecular weight
- 438.15
Names & synonyms
6313-06-02,3-dibromo-1-phenyl-4-(4-propan-2-ylphenyl)butane-1,4-dioneNSC406162,3-dibromo-1-phenyl-4-[4-(propan-2-yl)phenyl]butane-1,4-dioneDTXSID30285141NSC-406161,4-Butanedione, 2,3-dibromo-1-p-cumenyl-4-phenyl- (8CI)
Database identifiers
- CAS
6313-06-0- PubChem CID
- 237276
- DTXSID
DTXSID30285141
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
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Compound notes
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