| CAS Number | 1807047-85-3 |
| Catalog Number | AG01C325 |
| Chemical Name | 2-cyano-4,6-difluorobenzene-1-sulfonyl chloride |
| IUPAC Name | 2-cyano-4,6-difluorobenzenesulfonyl chloride |
| InChI | InChI=1S/C7H2ClF2NO2S/c8-14(12,13)7-4(3-11)1-5(9)2-6(7)10/h1-2H |
| InChI Key | RVURPSCOXJRTFQ-UHFFFAOYSA-N |
| MDL Number | MFCD28758864 |
| Molecular Formula | C7H2ClF2NO2S |
| Molecular Weight | 237.6111 |
| SMILES | FC1=CC(C#N)=C(S(Cl)(=O)=O)C(F)=C1 |
| Synonyms | 2-cyano-4,6-difluorobenzene-1-sulfonyl chloride,
1807047-85-3,
ZINC306396354,
FCH3608146,
EN300-253930,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.605g/mol |
| Monoisotopic Mass | 236.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number