Basic information
- CAS
64728-75-2- Standard SMILES
N#CC=CS(=O)(=O)c1ccc(OC(F)(F)C(Cl)Cl)cc1- InChIKey
ZWJYCQXGXNMBRR-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2F2NO3S
- Average molar mass
- 342.1 g/mol
- Monoisotopic mass
- 340.949176
Names & identifiers
- Preferred name
- 3-[4-(2,2-Dichloro-1,1-difluoroethoxy)benzene-1-sulfonyl]prop-2-enenitrile
- IUPAC
- 3-[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]sulfonylprop-2-enenitrile
Names & synonyms
3-[4-(2,2-Dichloro-1,1-difluoroethoxy)benzene-1-sulfonyl]prop-2-enenitrile64728-75-2SCHEMBL2244420DTXSID00712272ZWJYCQXGXNMBRR-UHFFFAOYSA-N
Database identifiers
- CAS
64728-75-2- PubChem CID
- 54569740
- DTXSID
DTXSID00712272
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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