| CAS Number | 97604-03-0 |
| Catalog Number | AG01E7YB(AGN-PC-0OOOJS) |
| Chemical Name | 2-(3-bromophenyl)-3,4-dihydropyrimidin-4-one |
| IUPAC Name | 2-(3-bromophenyl)-1H-pyrimidin-6-one |
| InChI | InChI=1S/C10H7BrN2O/c11-8-3-1-2-7(6-8)10-12-5-4-9(14)13-10/h1-6H,(H,12,13,14) |
| InChI Key | OZNZDYFBGVWZHH-UHFFFAOYSA-N |
| MDL Number | MFCD12107654 |
| Molecular Formula | C10H7BrN2O |
| Molecular Weight | 251.0794 |
| SMILES | BrC1=CC(C2NC(=O)C=CN=2)=CC=C1 |
| Synonyms | 4(3H)-Pyrimidinone, 2-(3-bromophenyl)-,
AKOS022678301,
97604-03-0,
|
| Complexity | 299 |
| 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 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.083g/mol |
| Monoisotopic Mass | 249.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number