3'-Bromo-4'-(2-methylbutyloxy)-4-p-toluenesulfonylbiphenyl
Basic information
- Standard SMILES
CCC(C)COc1ccc(-c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)cc1Br- InChIKey
DESZHXFSJIRTHO-UHFFFAOYSA-N- Molecular formula
- C24H25BrO3S
- Average molar mass
- 473.4 g/mol
Names & identifiers
- Preferred name
- 3'-Bromo-4'-(2-methylbutyloxy)-4-p-toluenesulfonylbiphenyl
- IUPAC
- 2-bromo-1-(2-methylbutoxy)-4-[4-(4-methylphenyl)sulfonylphenyl]benzene
Names & synonyms
SCHEMBL10349601DESZHXFSJIRTHO-UHFFFAOYSA-N3'-bromo-4'-(2-methylbutyloxy)-4-p-toluenesulfonylbiphenyl
Database identifiers
- PubChem CID
- 20144003
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 586
Related reactions
3 records
Compound notes
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