| CAS Number | 533932-27-3 |
| Catalog Number | AG01B163(AGN-PC-01N9YK) |
| Chemical Name | 4-(Trifluoromethyl)pyridine-3-sulfonyl chloride |
| IUPAC Name | 4-(trifluoromethyl)pyridine-3-sulfonyl chloride |
| InChI | InChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-3-11-2-1-4(5)6(8,9)10/h1-3H |
| InChI Key | VFJOQYGYBJRSJF-UHFFFAOYSA-N |
| MDL Number | MFCD13189204 |
| Molecular Formula | C6H3ClF3NO2S |
| Molecular Weight | 245.6067 |
| SMILES | FC(C1=C(S(Cl)(=O)=O)C=NC=C1)(F)F |
| Synonyms | 4-(TRIFLUOROMETHYL)PYRIDINE-3-SULFONYL CHLORIDE,
533932-27-3,
SCHEMBL4998731,
VFJOQYGYBJRSJF-UHFFFAOYSA-N,
ZINC97976190,
AKOS006336033,
AB67946,
NE43574,
SC-51648,
4-Trifluoromethyl-pyridine-3-sulfonyl chloride,
ACN-028416,
|
| 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