| CAS Number | 73226-50-3 |
| Catalog Number | AG01B27J(AGN-PC-0ALIF6) |
| Chemical Name | 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyrimidine |
| IUPAC Name | 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyrimidine |
| InChI | InChI=1S/C11H6BrF3N2O/c12-8-5-16-10(17-6-8)18-9-3-1-2-7(4-9)11(13,14)15/h1-6H |
| InChI Key | XXAHBNITIXGYKP-UHFFFAOYSA-N |
| MDL Number | MFCD19198907 |
| Molecular Formula | C11H6BrF3N2O |
| Molecular Weight | 319.0773 |
| SMILES | FC(C1=CC(OC2=NC=C(Br)C=N2)=CC=C1)(F)F |
| Synonyms | 5-bromo-2-[3-(trifluoromethyl)phenoxy]pyrimidine,
73226-50-3,
ZINC67119737,
AKOS006283837,
Z1165938059,
|
| 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 | 3.6 |
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Certificate of Analysis
Lot Number