Basic information
- Standard SMILES
CC(CCc1ccc(Br)cc1)(C(=O)O)S(C)(=O)=O- InChIKey
IJMOECHTYKTYHU-UHFFFAOYSA-N- Molecular formula
- C12H15BrO4S
- Average molar mass
- 335.22 g/mol
Names & identifiers
- Preferred name
- (+/-)-4-(4-Bromophenyl)-2-methyl-2-(methylsulfonyl)butanoic acid
- IUPAC
- 4-(4-bromophenyl)-2-methyl-2-methylsulfonylbutanoic acid
Names & synonyms
SCHEMBL5656IJMOECHTYKTYHU-UHFFFAOYSA-N(+/-)-4-(4-Bromophenyl)-2-methyl-2-(methylsulfonyl)butanoic acid
Database identifiers
- PubChem CID
- 66577906
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 393
Related reactions
11 records
Compound notes
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