| CAS Number | 1431697-81-2 |
| Catalog Number | AG01DHAM(AGN-PC-0WP19P) |
| Chemical Name | 4-[4-({[2-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide |
| IUPAC Name | 4-[4-[[2-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide |
| InChI | InChI=1S/C21H16ClF3N4O3/c1-26-19(30)17-11-14(9-10-27-17)32-13-7-5-12(6-8-13)28-20(31)29-16-4-2-3-15(18(16)22)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) |
| InChI Key | JWAKXXCHFJSKRN-UHFFFAOYSA-N |
| MDL Number | MFCD25976546 |
| Molecular Formula | C21H16ClF3N4O3 |
| Molecular Weight | 464.8249 |
| SMILES | CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3cccc(c3Cl)C(F)(F)F |
| Synonyms | SORAFENIB IMPURITY F,
4-(4-(3-(2-chloro-3-(trifluoroMethyl)phenyl)ureido)phenoxy)-N-MethylpicolinaMide,
1431697-81-2,
CS-Z0001,
CS-17531,
Sorafenib 2-chloro isomer,
JWAKXXCHFJSKRN-UHFFFAOYSA-N,
|
| Complexity | 646 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 464.086303g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 464.8g/mol |
| Monoisotopic Mass | 464.086303g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 92.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number