| CAS Number | 1429419-55-5 |
| Catalog Number | AG01B3DG(AGN-PC-0WBER6) |
| Chemical Name | 1-(2-fluoroethyl)-1H-pyrazole-4-sulfonyl chloride |
| IUPAC Name | 1-(2-fluoroethyl)pyrazole-4-sulfonyl chloride |
| InChI | InChI=1S/C5H6ClFN2O2S/c6-12(10,11)5-3-8-9(4-5)2-1-7/h3-4H,1-2H2 |
| InChI Key | PQBTVMMMQLFQEY-UHFFFAOYSA-N |
| MDL Number | MFCD23971824 |
| Molecular Formula | C5H6ClFN2O2S |
| Molecular Weight | 212.6297 |
| SMILES | FCCN1N=CC(S(Cl)(=O)=O)=C1 |
| Synonyms | 1-(2-fluoroethyl)-1H-pyrazole-4-sulfonyl chloride,
1429419-55-5,
MFCD23971824,
ZINC97965341,
AKOS019261798,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.623g/mol |
| Monoisotopic Mass | 211.982g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number