| CAS Number | 1308384-42-0 |
| Catalog Number | AG00J2ID |
| Chemical Name | 2-methyl-5-[5-(trifluoromethyl)-3-isoxazolyl]-3-furansulfonyl chloride |
| IUPAC Name | 2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-3-sulfonyl chloride |
| InChI | InChI=1S/C9H5ClF3NO4S/c1-4-7(19(10,15)16)3-6(17-4)5-2-8(18-14-5)9(11,12)13/h2-3H,1H3 |
| InChI Key | SEKVRWJYBWRBNJ-UHFFFAOYSA-N |
| MDL Number | MFCD18917034 |
| Molecular Formula | C9H5ClF3NO4S |
| Molecular Weight | 315.6535 |
| SMILES | C1(=C(C)OC(C2=NOC(C(F)(F)F)=C2)=C1)S(Cl)(=O)=O |
| Synonyms | 1308384-42-0,
2-methyl-5-[5-(trifluoromethyl)-3-isoxazolyl]-3-furansulfonyl chloride,
2-Methyl-5-(5-(trifluoromethyl)isoxazol-3-yl)furan-3-sulfonyl chloride,
2-Methyl-5-[5-(trifluoromethyl)isoxazol-3-yl]furan-3-sulfonyl chloride,
ZX-CM009746,
MFCD18917034,
AKOS030631113,
ZINC100294018,
Y-8011,
2-Methyl-5-[5-(trifluoroMethyl)-3-isoxazolyl]-3-furansulfonyl chloride, AldrichCPR,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.647g/mol |
| Monoisotopic Mass | 314.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number