| CAS Number | 180606-52-4 |
| Catalog Number | AG00225J(AGN-PC-05BJ6D) |
| Chemical Name | 2-(4-Bromophenyl)-6-methylpyrimidin-4-ol |
| IUPAC Name | 2-(4-bromophenyl)-4-methyl-1H-pyrimidin-6-one |
| InChI | InChI=1S/C11H9BrN2O/c1-7-6-10(15)14-11(13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15) |
| InChI Key | UUMPRRJUFLDOCE-UHFFFAOYSA-N |
| MDL Number | MFCD00697484 |
| Molecular Formula | C11H9BrN2O |
| Molecular Weight | 265.1060 |
| SMILES | C1(C2C=CC(=CC=2)Br)N=C(C)C=C(O)N=1 |
| Synonyms | 180606-52-4,
2-(4-BROMOPHENYL)-6-METHYL-4-PYRIMIDINOL,
2-(4-Bromophenyl)-6-methylpyrimidin-4-ol,
2-(4-bromophenyl)-6-methylpyrimidin-4-one,
2-(4-Bromophenyl)-6-methylpyrimidin-4(1H)-one,
CTK4D7663,
DTXSID80651054,
ZX-CM015467,
MFCD00697484,
ZINC19093718,
AKOS005229112,
AKOS022184382,
AJ-72212,
W-7488,
4(3H)-Pyrimidinone, 2-(4-bromophenyl)-6-methyl-,
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| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.11g/mol |
| Monoisotopic Mass | 263.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number