| CAS Number | 1016838-18-8 |
| Catalog Number | AG00948J(AGN-PC-0WOCAW) |
| Chemical Name | 2-(4-Bromophenoxy)pyrimidine |
| IUPAC Name | 2-(4-bromophenoxy)pyrimidine |
| InChI | InChI=1S/C10H7BrN2O/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H |
| InChI Key | HHJBRCBIEQHCOI-UHFFFAOYSA-N |
| MDL Number | MFCD09943481 |
| Molecular Formula | C10H7BrN2O |
| Molecular Weight | 251.0794 |
| SMILES | c1c(ccc(c1)Oc1ncccn1)Br |
| Synonyms | 2-(4-bromophenoxy)pyrimidine,
1016838-18-8,
2-(4-Bromo-phenoxy)-pyrimidine,
CTK5I7634,
AC1Q2502,
ZINC19502810,
AKOS000187357,
MCULE-3616101817,
Z6381,
EN300-56439,
K-0244,
A1-02477,
C10H7BrN2O,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.083g/mol |
| Monoisotopic Mass | 249.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number