| CAS Number | 130820-89-2 |
| Catalog Number | AG009B35(AGN-PC-0PJCLL) |
| Chemical Name | (4-Pyridylmethyl)sulfonyl chloride Triflate |
| IUPAC Name | pyridin-4-ylmethanesulfonyl chloride;trifluoromethanesulfonic acid |
| InChI | InChI=1S/C6H6ClNO2S.CHF3O3S/c7-11(9,10)5-6-1-3-8-4-2-6;2-1(3,4)8(5,6)7/h1-4H,5H2;(H,5,6,7) |
| InChI Key | GRSYXRYACUBCHM-UHFFFAOYSA-N |
| MDL Number | MFCD02089494 |
| Molecular Formula | C7H7ClF3NO5S2 |
| Molecular Weight | 341.7124 |
| SMILES | OS(=O)(=O)C(F)(F)F.ClS(=O)(=O)CC1=CC=NC=C1 |
| Synonyms | (4-PYRIDYLMETHYL)SULFONYL CHLORIDE TRIFLATE,
130820-89-2,
C6H6ClNO2S.CHF3O3S,
SCHEMBL1633682,
CTK7B7627,
DTXSID90564707,
GRSYXRYACUBCHM-UHFFFAOYSA-N,
4PCS-0-3,
4307AH,
AR1991,
MFCD02089494,
4-Pyridylmethanesulfonyl chloride triflate,
AS-45254,
4-Pyridinylmethanesulfonyl chloridetriflate,
4-Pyridinylmethanesulfonyl chloride triflate,
X-3507,
(4-pyridylmethyl)sulfonyl chloride triflate, AldrichCPR,
pyridin-4-ylmethanesulfonyl chloride;trifluoromethanesulfonic acid,
Trifluoromethanesulfonic acid--(pyridin-4-yl)methanesulfonyl chloride (1/1),
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.7g/mol |
| Monoisotopic Mass | 340.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number