| CAS Number | 1314907-49-7 |
| Catalog Number | AG009YVE(AGN-PC-0WNQS7) |
| Chemical Name | 3,3-difluoropropane-1-sulfonyl chloride |
| IUPAC Name | 3,3-difluoropropane-1-sulfonyl chloride |
| InChI | InChI=1S/C3H5ClF2O2S/c4-9(7,8)2-1-3(5)6/h3H,1-2H2 |
| InChI Key | YOACIDRNEANCHK-UHFFFAOYSA-N |
| MDL Number | MFCD10000564 |
| Molecular Formula | C3H5ClF2O2S |
| Molecular Weight | 178.5854 |
| SMILES | FC(CCS(Cl)(=O)=O)F |
| Synonyms | 3,3-difluoropropane-1-sulfonyl chloride,
1314907-49-7,
SCHEMBL18332477,
AKOS006304032,
ZINC104453779,
3,3-Difluoro-propane-1-sulfonyl chloride,
3,3-difluoro-1-Propanesulfonyl chloride,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.578g/mol |
| Monoisotopic Mass | 177.967g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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