| CAS Number | 914636-83-2 |
| Catalog Number | AG00GSG8(AGN-PC-0WCB9A) |
| Chemical Name | 2-(4-Bromophenoxy)-4-(trifluoromethyl)pyrimidine |
| IUPAC Name | 2-(4-bromophenoxy)-4-(trifluoromethyl)pyrimidine |
| InChI | InChI=1S/C11H6BrF3N2O/c12-7-1-3-8(4-2-7)18-10-16-6-5-9(17-10)11(13,14)15/h1-6H |
| InChI Key | ASUVFSFZQYQOSX-UHFFFAOYSA-N |
| MDL Number | MFCD08235249 |
| Molecular Formula | C11H6BrF3N2O |
| Molecular Weight | 319.0774 |
| SMILES | C1=C(C(F)(F)F)N=C(OC2C=CC(Br)=CC=2)N=C1 |
| Synonyms | 2-(4-Bromophenoxy)-4-(trifluoromethyl)pyrimidine,
914636-83-2,
4-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yloxy]benzene,
C11H6BrF3N2O,
CTK5I7631,
KS-00003QYK,
3007AF,
MFCD08235249,
SBB054174,
ZINC16159611,
AKOS009152195,
MCULE-9431529117,
PS-7053,
RT-007104,
ST50949788,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.081g/mol |
| Monoisotopic Mass | 317.962g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number