Basic information
- Standard SMILES
COC(=O)C1CCC(c2ccc(Br)cc2)CC1- InChIKey
LWLPAYYRCQQFSV-UHFFFAOYSA-N- Molecular formula
- C14H17BrO2
- Average molar mass
- 297.19 g/mol
- Monoisotopic mass
- 296.04119
Names & identifiers
- Preferred name
- 4-(4-Bromophenyl)cyclohexane carboxylic acid methyl ester
- IUPAC
- methyl 4-(4-bromophenyl)cyclohexane-1-carboxylate
Names & synonyms
SCHEMBL2382580LWLPAYYRCQQFSV-UHFFFAOYSA-N4-(4-bromophenyl)cyclohexane carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 58453203
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Related reactions
6 records
Compound notes
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