| CAS Number | 163035-65-2 |
| Catalog Number | AG00AKE5(AGN-PC-0O4NPW) |
| Chemical Name | 2,2-Difluoroethyl mesylate |
| IUPAC Name | 2,2-difluoroethyl methanesulfonate |
| InChI | InChI=1S/C3H6F2O3S/c1-9(6,7)8-2-3(4)5/h3H,2H2,1H3 |
| InChI Key | JVLBOSKDGOGFEY-UHFFFAOYSA-N |
| MDL Number | MFCD19442174 |
| Molecular Formula | C3H6F2O3S |
| Molecular Weight | 160.1397 |
| SMILES | CS(=O)(=O)OCC(F)F |
| Synonyms | 2,2-difluoroethyl methanesulfonate,
163035-65-2,
2,2-Difluoroethylmethane sulfonate,
methanesulfonic acid 2,2-difluoroethyl ester,
2,2-difluoroethyl mesylate,
SCHEMBL738764,
JVLBOSKDGOGFEY-UHFFFAOYSA-N,
ZINC72265994,
AKOS026728247,
NE48457,
methanesulfonic acid 2,2 difluoroethyl ester,
Methanesulfonic acid 2,2-difluoro-ethyl ester,
methanesulphonic acid 2,2-difluoro-ethyl ester,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.135g/mol |
| Monoisotopic Mass | 160.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number