Basic information
- Standard SMILES
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)c1ccc(Br)cc1- InChIKey
KHZQKOVXYSHWQQ-QWHCGFSZSA-N- Molecular formula
- C15H17BrO3
- Average molar mass
- 325.2 g/mol
Names & identifiers
- Preferred name
- Methyl cis-2-(4-bromobenzoyl)cyclohexanecarboxylate
- IUPAC
- cis-methyl (1R,2S)-2-(4-bromobenzoyl)cyclohexane-1-carboxylate
Names & synonyms
SCHEMBL1748036KHZQKOVXYSHWQQ-QWHCGFSZSA-Nmethyl cis-2-(4-bromobenzoyl)cyclohexane-carboxylateMethyl cis-2-(4-bromobenzoyl)cyclohexanecarboxylate
Database identifiers
- PubChem CID
- 67147291
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
8 records
Compound notes
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