Basic information
- CAS
101492-30-2- Standard SMILES
CCOc1ccc([C@@]2(C(=O)OCc3cccc(Oc4ccccc4)c3)C[C@@]2(Cl)Br)cc1- InChIKey
VTNPIKYOVVMHNC-RPBOFIJWSA-N- Molecular formula
- C25H22BrClO4
- Average molar mass
- 501.8 g/mol
- Monoisotopic mass
- 500.039
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, (3-phenoxyphenyl)methyl ester, trans-
- IUPAC
- trans-(3-phenoxyphenyl)methyl (1R,2R)-2-bromo-2-chloro-1-(4-ethoxyphenyl)cyclopropane-1-carboxylate
Names & synonyms
101492-30-2Cyclopropanecarboxylic acid, 2-bromo-2-chloro-1-(4-ethoxyphenyl)-, (3-phenoxyphenyl)methyl ester, trans-
Database identifiers
- CAS
101492-30-2- PubChem CID
- 180992
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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