| CAS Number | 1215670-87-3 |
| Catalog Number | AG01A6R2(AGN-PC-0WCAR8) |
| Chemical Name | 4-([4-(Trifluoromethyl)pyrimidin-2-yl]oxy)aniline |
| IUPAC Name | 4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline |
| InChI | InChI=1S/C11H8F3N3O/c12-11(13,14)9-5-6-16-10(17-9)18-8-3-1-7(15)2-4-8/h1-6H,15H2 |
| InChI Key | ZQRVRZOKYHSJDM-UHFFFAOYSA-N |
| MDL Number | MFCD11505003 |
| Molecular Formula | C11H8F3N3O |
| Molecular Weight | 255.1959 |
| SMILES | NC1=CC=C(OC2=NC(C(F)(F)F)=CC=N2)C=C1 |
| Synonyms | 4-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}aniline,
1215670-87-3,
4-((4-(Trifluoromethyl)pyrimidin-2-yl)oxy)aniline,
CTK7D7786,
KS-00003TQM,
SBB051697,
ZINC40447813,
AKOS011333990,
NE54407,
TS-03451,
4-[4-(trifluoromethyl)pyrimidin-2-yloxy]phenylamine,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.2g/mol |
| Monoisotopic Mass | 255.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number