| CAS Number | 78201-15-7 |
| Catalog Number | AG01B1AW(AGN-PC-0OI4B0) |
| Chemical Name | 4H-1,2,4-Triazole-3-sulfonyl fluoride |
| IUPAC Name | 1H-1,2,4-triazole-5-sulfonyl fluoride |
| InChI | InChI=1S/C2H2FN3O2S/c3-9(7,8)2-4-1-5-6-2/h1H,(H,4,5,6) |
| InChI Key | NJTSYRNPMQYKOY-UHFFFAOYSA-N |
| MDL Number | MFCD20683378 |
| Molecular Formula | C2H2FN3O2S |
| Molecular Weight | 151.1196 |
| SMILES | FS(C1NC=NN=1)(=O)=O |
| Synonyms | 4H-1,2,4-triazole-3-sulfonyl fluoride,
78201-15-7,
SCHEMBL3479157,
SCHEMBL11455703,
NJTSYRNPMQYKOY-UHFFFAOYSA-N,
ES-2344,
1H-1,2,4-Triazole-3-sulfonyl fluoride,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.115g/mol |
| Monoisotopic Mass | 150.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number