Basic information
- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2F)cc1- InChIKey
BZCQIVSSFOLPNG-UHFFFAOYSA-N- Molecular formula
- C22H16F2O4S
- Average molar mass
- 414.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzoate
- IUPAC
- methyl 2-[4-[2-(2,4-difluorophenyl)ethenyl]phenyl]sulfonylbenzoate
Names & synonyms
SCHEMBL3159665
Database identifiers
- PubChem CID
- 68533689
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 679
Related reactions
1 records
Compound notes
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