| CAS Number | 884340-52-7 |
| Catalog Number | AG01AOJC(AGN-PC-08VYCO) |
| Chemical Name | 1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-sulfonyl chloride |
| IUPAC Name | 2-methyl-5-(trifluoromethyl)pyrazole-3-sulfonyl chloride |
| InChI | InChI=1S/C5H4ClF3N2O2S/c1-11-4(14(6,12)13)2-3(10-11)5(7,8)9/h2H,1H3 |
| InChI Key | MORWFSVOFMNQDO-UHFFFAOYSA-N |
| MDL Number | MFCD15976373 |
| Molecular Formula | C5H4ClF3N2O2S |
| Molecular Weight | 248.6107 |
| SMILES | CN1C(S(Cl)(=O)=O)=CC(C(F)(F)F)=N1 |
| Synonyms | 1-methyl-3-(trifluoromethyl)-1h-pyrazole-5-sulfonyl chloride,
884340-52-7,
SCHEMBL4464891,
MFCD15976373,
SBB073318,
AKOS005169196,
ZINC100804845,
MCULE-6077691206,
EN300-232413,
chloro[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfone,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.604g/mol |
| Monoisotopic Mass | 247.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number