| CAS Number | 87736-79-6 |
| Catalog Number | AG004G7I(AGN-PC-00EG9S) |
| Chemical Name | Ethanone,2,2,2-trifluoro-1-(4-methylphenyl)-, O-[(4-methylphenyl)sulfonyl]oxime |
| IUPAC Name | [[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]amino] 4-methylbenzenesulfonate |
| InChI | InChI=1S/C16H14F3NO3S/c1-11-3-7-13(8-4-11)15(16(17,18)19)20-23-24(21,22)14-9-5-12(2)6-10-14/h3-10H,1-2H3 |
| InChI Key | GHAOMANCFBUXTJ-UHFFFAOYSA-N |
| MDL Number | MFCD10566024 |
| Molecular Formula | C16H14F3NO3S |
| Molecular Weight | 357.3475 |
| SMILES | Cc1ccc(cc1)C(=NOS(=O)(=O)c1ccc(cc1)C)C(F)(F)F |
| Synonyms | 87736-79-6,
Ethanone,2,2,2-trifluoro-1-(4-methylphenyl)-, O-[(4-methylphenyl)sulfonyl]oxime,
2,2,2-Trifluoro-1-(4-methylphenyl)ethanone O-Tosyl Oxime,
CTK5F8943,
AKOS030255260,
FT-0675539,
2,2,2-trifluoro-1-(p-tolyl)ethanone O-tosyl oxime,
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| Complexity | 538 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.347g/mol |
| Monoisotopic Mass | 357.065g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number