Basic information
- Standard SMILES
C=C(Cl)Cc1ccc(COC(=O)[C@@H]2[C@H](C=C(Br)Br)C2(C)C)cc1- InChIKey
JUYCZKMMJJHVPJ-HOCLYGCPSA-N- Molecular formula
- C18H19Br2ClO2
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 459.94403
Names & identifiers
- Preferred name
- 4(2-chloroallyl)benzyl(1R)cis-3(2,2-dibromovinyl)-2,2-dimethylcyclopropane carboxylate
- IUPAC
- trans-[4-(2-chloroprop-2-enyl)phenyl]methyl (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
SCHEMBL10549087JUYCZKMMJJHVPJ-HOCLYGCPSA-N4(2-chloroallyl)benzyl(1R)cis-3(2,2-dibromovinyl)-2,2-dimethylcyclopropane carboxylate
Database identifiers
- PubChem CID
- 13243294
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 489
Related reactions
2 records
Compound notes
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