| CAS Number | 1909337-17-2 |
| Catalog Number | AG01C4W0 |
| Chemical Name | 1-methyl-1H-1,2,3-benzotriazole-5-sulfonyl fluoride |
| IUPAC Name | 1-methylbenzotriazole-5-sulfonyl fluoride |
| InChI | InChI=1S/C7H6FN3O2S/c1-11-7-3-2-5(14(8,12)13)4-6(7)9-10-11/h2-4H,1H3 |
| InChI Key | NOJIQKJUCJIGKW-UHFFFAOYSA-N |
| MDL Number | MFCD29907020 |
| Molecular Formula | C7H6FN3O2S |
| Molecular Weight | 215.2048 |
| SMILES | CN1C2=C(C=C(S(F)(=O)=O)C=C2)N=N1 |
| Synonyms | 1-methyl-1H-1,2,3-benzotriazole-5-sulfonyl fluoride,
1909337-17-2,
ZINC306658158,
ES-2204,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.202g/mol |
| Monoisotopic Mass | 215.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number