| CAS Number | 1060811-16-6 |
| Catalog Number | AG00J2BF(AGN-PC-0WB60I) |
| Chemical Name | 2-(Trifluoromethyl)-3-pyridinesulfonyl chloride |
| IUPAC Name | 2-(trifluoromethyl)pyridine-3-sulfonyl chloride |
| InChI | InChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-2-1-3-11-5(4)6(8,9)10/h1-3H |
| InChI Key | IRINAFUPYRWEKL-UHFFFAOYSA-N |
| MDL Number | MFCD13188846 |
| Molecular Formula | C6H3ClF3NO2S |
| Molecular Weight | 245.6067 |
| SMILES | S(Cl)(=O)(=O)C1=CC=CN=C1C(F)(F)F |
| Synonyms | 1060811-16-6,
2-(TRIFLUOROMETHYL)PYRIDINE-3-SULFONYL CHLORIDE,
2-(TRIFLUOROMETHYL)-3-PYRIDINESULFONYL CHLORIDE,
SCHEMBL3150407,
MFCD13188846,
ZINC97950195,
AKOS006333425,
AB67240,
2-Trifluoromethyl-pyridine-3-sulfonyl chloride,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.6g/mol |
| Monoisotopic Mass | 244.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number