| CAS Number | 69033-87-0 |
| Catalog Number | AG005Z62(AGN-PC-0LCY7X) |
| Chemical Name | 5-Bromo-2-(4-methoxyphenoxy)pyrimidine |
| IUPAC Name | 5-bromo-2-(4-methoxyphenoxy)pyrimidine |
| InChI | InChI=1S/C11H9BrN2O2/c1-15-9-2-4-10(5-3-9)16-11-13-6-8(12)7-14-11/h2-7H,1H3 |
| InChI Key | DVQJWLTUHCUAAF-UHFFFAOYSA-N |
| MDL Number | MFCD03646345 |
| Molecular Formula | C11H9BrN2O2 |
| Molecular Weight | 281.1054 |
| SMILES | n1c(ncc(c1)Br)Oc1ccc(cc1)OC |
| Synonyms | 5-bromo-2-(4-methoxyphenoxy)pyrimidine,
69033-87-0,
5-Bromo-2-(4-methoxy-phenoxy)-pyrimidine,
AC1NCYKT,
SCHEMBL3977514,
CTK5C8932,
DTXSID70404076,
DVQJWLTUHCUAAF-UHFFFAOYSA-N,
ZINC1497340,
MFCD03646345,
AKOS006283347,
2-(4-Methoxyphenoxy)-5-bromopyrimidine,
5-Bromo-2-(4-methoxyphenoxy)-pyrimidine,
AS-31364,
DB-074095,
FT-0705841,
Pyrimidine, 5-bromo-2-(4-methoxyphenoxy)-,
A-2121,
CID4541513,
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| Complexity | 202 |
| 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 |
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Certificate of Analysis
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