Basic information
- Standard SMILES
Cc1cc(CCCS(C)(=O)=O)cc(C)c1Br- InChIKey
LIKHOAQDSJTRQV-UHFFFAOYSA-N- Molecular formula
- C12H17BrO2S
- Average molar mass
- 305.23 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-1,3-dimethyl-5-(3-(methylsulfonyl)propyl)benzene
- IUPAC
- 2-bromo-1,3-dimethyl-5-(3-methylsulfonylpropyl)benzene
Names & synonyms
2-bromo-1,3-dimethyl-5-(3-(methylsulfonyl)propyl)benzene2-Bromo-1,3-dimethyl-5-[3-(methylsulfonyl)propyl]benzeneSCHEMBL15262898LIKHOAQDSJTRQV-UHFFFAOYSA-NDB-1638801458654-40-4
Database identifiers
- PubChem CID
- 86697207
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Related reactions
1 records
Compound notes
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