| CAS Number | 73226-25-2 |
| Catalog Number | AG01B2RA(AGN-PC-0FDPYD) |
| Chemical Name | 5-Bromo-2-(3-methoxyphenoxy)pyrimidine |
| IUPAC Name | 5-bromo-2-(3-methoxyphenoxy)pyrimidine |
| InChI | InChI=1S/C11H9BrN2O2/c1-15-9-3-2-4-10(5-9)16-11-13-6-8(12)7-14-11/h2-7H,1H3 |
| InChI Key | SJAUCDXSPIMNFX-UHFFFAOYSA-N |
| MDL Number | MFCD18631402 |
| Molecular Formula | C11H9BrN2O2 |
| Molecular Weight | 281.1054 |
| SMILES | COC1=CC(OC2=NC=C(Br)C=N2)=CC=C1 |
| Synonyms | 5-bromo-2-(3-methoxyphenoxy)pyrimidine,
73226-25-2,
Pyrimidine, 5-bromo-2-(3-methoxyphenoxy)-,
AKOS013181658,
ZINC111752195,
Z1165938169,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.109g/mol |
| Monoisotopic Mass | 279.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number