Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(C(Br)C(=O)c2ccccc2)cc1- InChIKey
RBHURFRUCSUMPN-UHFFFAOYSA-N- Molecular formula
- C15H13BrO3S
- Average molar mass
- 353.2 g/mol
Names & identifiers
- Preferred name
- 1-Phenyl-2-bromo-2-(4-(methylsulfonyl)phenyl)ethanone
- IUPAC
- 2-bromo-2-(4-methylsulfonylphenyl)-1-phenylethanone
Names & synonyms
SCHEMBL7221221RBHURFRUCSUMPN-UHFFFAOYSA-N1-Phenyl-2-bromo-2- (4-(methylsulfonyl)phenyl)ethanone
Database identifiers
- PubChem CID
- 15315212
- Nikkaji
- J895.076H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Related reactions
3 records
Compound notes
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