| CAS Number | 1423037-33-5 |
| Catalog Number | AG009WZ8(AGN-PC-0WABG1) |
| Chemical Name | 5-Formyl-N,N-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide |
| IUPAC Name | 5-formyl-N,N-dimethyl-3-(trifluoromethyl)pyrazole-1-sulfonamide |
| InChI | InChI=1S/C7H8F3N3O3S/c1-12(2)17(15,16)13-5(4-14)3-6(11-13)7(8,9)10/h3-4H,1-2H3 |
| InChI Key | WKKFDIDBIZFOCP-UHFFFAOYSA-N |
| MDL Number | MFCD23135914 |
| Molecular Formula | C7H8F3N3O3S |
| Molecular Weight | 271.2169 |
| SMILES | O=Cc1cc(nn1S(=O)(=O)N(C)C)C(F)(F)F |
| Synonyms | 1423037-33-5,
5-FORMYL-N,N-DIMETHYL-3-(TRIFLUOROMETHYL)PYRAZOLE-1-SULFONAMIDE,
C7H8F3N3O3S,
KM3834,
ZINC95217959,
V3189,
WKKFDIDBIZFOCP-UHFFFAOYSA-N,
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| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.214g/mol |
| Monoisotopic Mass | 271.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number