Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H]1C(=O)c1ccc(Br)cc1- InChIKey
APNJFPTUUUQXLI-VHSXEESVSA-N- Molecular formula
- C12H11BrO3
- Average molar mass
- 283.12 g/mol
Names & identifiers
- Preferred name
- Methyl cis-2-(4-bromobenzoyl)cyclopropanecarboxylate
- IUPAC
- cis-methyl (1R,2S)-2-(4-bromobenzoyl)cyclopropane-1-carboxylate
Names & synonyms
Methyl cis-2-(4-bromobenzoyl)cyclopropanecarboxylateSCHEMBL1748030APNJFPTUUUQXLI-VHSXEESVSA-NMethyl cis-2(4-bromobenzoyl)cyclopropanecarboxylatemethyl cis-2-(4-bromobenzoyl)-cyclopropanecarboxylate
Database identifiers
- PubChem CID
- 67147290
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Related reactions
8 records
Compound notes
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