Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, (3-phenoxyphenyl)methyl ester, cis-
Basic information
- CAS
101492-27-7- Standard SMILES
CCOc1ccc([C@@]2(C(=O)OCc3cccc(Oc4ccccc4)c3)C[C@]2(F)Cl)cc1- InChIKey
AGLZCCVUFXLVEE-JWQCQUIFSA-N- Molecular formula
- C25H22ClFO4
- Average molar mass
- 440.9 g/mol
- Monoisotopic mass
- 440.119065
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, (3-phenoxyphenyl)methyl ester, cis-
- IUPAC
- cis-(3-phenoxyphenyl)methyl (1R,2S)-2-chloro-1-(4-ethoxyphenyl)-2-fluorocyclopropane-1-carboxylate
Names & synonyms
101492-27-7Cyclopropanecarboxylic acid, 2-chloro-1-(4-ethoxyphenyl)-2-fluoro-, (3-phenoxyphenyl)methyl ester, cis-DTXSID00143961(3-phenoxyphenyl)methyl (1R,2S)-2-chloro-1-(4-ethoxyphenyl)-2-fluorocyclopropane-1-carboxylate
Database identifiers
- CAS
101492-27-7- PubChem CID
- 180989
- DTXSID
DTXSID00143961
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 604
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Compound notes
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