| CAS Number | 1909312-64-6 |
| Catalog Number | AG01ACHW |
| Chemical Name | 1-methyl-1H-pyrrole-2-sulfonyl fluoride |
| IUPAC Name | 1-methylpyrrole-2-sulfonyl fluoride |
| InChI | InChI=1S/C5H6FNO2S/c1-7-4-2-3-5(7)10(6,8)9/h2-4H,1H3 |
| InChI Key | KLNFFLXBDQXPIP-UHFFFAOYSA-N |
| MDL Number | MFCD29054816 |
| Molecular Formula | C5H6FNO2S |
| Molecular Weight | 163.17 |
| SMILES | CN1C(S(F)(=O)=O)=CC=C1 |
| Synonyms | 1-methyl-1H-pyrrole-2-sulfonyl fluoride,
1909312-64-6,
ZINC299805364,
ES-2182,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.166g/mol |
| Monoisotopic Mass | 163.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number