| CAS Number | 1268334-85-5 |
| Catalog Number | AG00J2HS(AGN-PC-0WB5XV) |
| Chemical Name | 4-[5-(Trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonyl chloride |
| IUPAC Name | 4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonyl chloride |
| InChI | InChI=1S/C8H3ClF3NO3S2/c9-18(14,15)7-1-4(3-17-7)5-2-6(16-13-5)8(10,11)12/h1-3H |
| InChI Key | KMHGDBUEVDUQHQ-UHFFFAOYSA-N |
| MDL Number | MFCD15729945 |
| Molecular Formula | C8H3ClF3NO3S2 |
| Molecular Weight | 317.6925 |
| SMILES | S(Cl)(=O)(=O)C1SC=C(C2=NOC(C(F)(F)F)=C2)C=1 |
| Synonyms | 4-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonyl chloride,
1268334-85-5,
ZX-CM009704,
MFCD15729945,
AKOS015935568,
ZINC100104853,
Y-7621,
4-(5-(Trifluoromethyl)isoxazol-3-yl)thiophene-2-sulfonyl chloride,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.681g/mol |
| Monoisotopic Mass | 316.919g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number