Basic information
- Standard SMILES
CCOC(=O)C1CCC(Sc2ccc(Br)cc2)C(=O)C1- InChIKey
BWRFOMFDDJQUSM-UHFFFAOYSA-N- Molecular formula
- C15H17BrO3S
- Average molar mass
- 357.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(4-bromophenyl)thio]-3-oxocyclohexanecarboxylate
- IUPAC
- ethyl 4-(4-bromophenyl)sulfanyl-3-oxocyclohexane-1-carboxylate
Names & synonyms
SCHEMBL4941261BWRFOMFDDJQUSM-UHFFFAOYSA-NEthyl 4-[(4-bromophenyl)thio]-3-oxocyclohexanecarboxylate
Database identifiers
- PubChem CID
- 69249727
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
2 records
Compound notes
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