| CAS Number | 104040-75-7 |
| Catalog Number | AG0095MP(AGN-PC-0NVNF0) |
| Chemical Name | 3-(Trifluoromethyl)-2-pyridinesulfonyl chloride |
| IUPAC Name | 3-(trifluoromethyl)pyridine-2-sulfonyl chloride |
| InChI | InChI=1S/C6H3ClF3NO2S/c7-14(12,13)5-4(6(8,9)10)2-1-3-11-5/h1-3H |
| InChI Key | XIEXICQWCSLBBZ-UHFFFAOYSA-N |
| MDL Number | MFCD16093662 |
| Molecular Formula | C6H3ClF3NO2S |
| Molecular Weight | 245.6067 |
| SMILES | FC(C1=C(S(Cl)(=O)=O)N=CC=C1)(F)F |
| Synonyms | 3-(TRIFLUOROMETHYL)PYRIDINE-2-SULFONYL CHLORIDE,
104040-75-7,
SCHEMBL6917349,
DTXSID50552367,
MFCD16093662,
ZINC100492010,
AS-41033,
FT-0732714,
3-(trifluoromethyl) pyridine-2-sulfonyl chloride,
3-(trifluoromethyl) pyridine-2-sulfonyl chloride,
F2147-1668,
3-(trifluoromethyl)-2-Pyridinesulfonyl chloride,
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| 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 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number