| CAS Number | 936074-62-3 |
| Catalog Number | AG00J2GE |
| Chemical Name | 2-Methyl-5-(5-(trifluoromethyl)isoxazol-3-yl)benzene-1-sulfonyl chloride |
| IUPAC Name | 2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl chloride |
| InChI | InChI=1S/C11H7ClF3NO3S/c1-6-2-3-7(4-9(6)20(12,17)18)8-5-10(19-16-8)11(13,14)15/h2-5H,1H3 |
| InChI Key | SFCPZZWCCWLXPJ-UHFFFAOYSA-N |
| MDL Number | MFCD09743338 |
| Molecular Formula | C11H7ClF3NO3S |
| Molecular Weight | 325.6914 |
| SMILES | S(Cl)(=O)(=O)C1C(C)=CC=C(C=1)C1=NOC(C(F)(F)F)=C1 |
| Synonyms | 2-Methyl-5-[5-(trifluoromethyl)-3-isoxazolyl]benzenesulfonyl chloride,
936074-62-3,
ZX-CM009552,
MFCD09743338,
SBB018646,
STK693851,
AKOS005605622,
ZINC100021578,
MCULE-9972025682,
Y-5441,
chloro{2-methyl-5-[5-(trifluoromethyl)isoxazol-3-yl]phenyl}sulfone,
2-Methyl-5-(5-(trifluoromethyl)isoxazol-3-yl)benzene-1-sulfonyl chloride,
2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonyl chloride,
2-methyl-5-[5-(trifluoromethyl)-3-isoxazolyl]-1-benzenesulfonyl chloride,
|
| Complexity | 451 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.686g/mol |
| Monoisotopic Mass | 324.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number