1-[4-(4-Bromophenyl)phenyl]-3-methylbutan-1-one
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Basic information
- CAS
219596-64-2- Standard SMILES
CC(C)CC(=O)c1ccc(-c2ccc(Br)cc2)cc1- InChIKey
NGYULPJYCFQRRZ-UHFFFAOYSA-N- Molecular formula
- C17H17BrO
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 316.04628
Names & identifiers
- Preferred name
- 1-[4-(4-Bromophenyl)phenyl]-3-methylbutan-1-one
- IUPAC
- 1-[4-(4-bromophenyl)phenyl]-3-methylbutan-1-one
- English name
- 1-(4'-bromo[1,1'-biphenyl]-4-yl)-3-methyl-1-butanone
- Molecular formula
- C17H17BrO
- Molecular weight
- 317.22028
Names & synonyms
219596-64-21-(4'-bromo[1,1'-biphenyl]-4-yl)-3-methyl-1-butanone1-Butanone, 1-(4'-bromo[1,1'-biphenyl]-4-yl)-3-methyl-1-[4-(4-bromophenyl)phenyl]-3-methylbutan-1-oneSCHEMBL8330625AA-516/12432402
Database identifiers
- CAS
219596-64-2- PubChem CID
- 821768
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
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Compound notes
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