| CAS Number | 888968-67-0 |
| Catalog Number | AG00IFIF(AGN-PC-0OLYZW) |
| Chemical Name | 4-(3-Bromophenyl)pyrimidin-2-ol |
| IUPAC Name | 6-(3-bromophenyl)-1H-pyrimidin-2-one |
| InChI | InChI=1S/C10H7BrN2O/c11-8-3-1-2-7(6-8)9-4-5-12-10(14)13-9/h1-6H,(H,12,13,14) |
| InChI Key | YBUXCGXGEJLZBJ-UHFFFAOYSA-N |
| MDL Number | MFCD17215826 |
| Molecular Formula | C10H7BrN2O |
| Molecular Weight | 251.0794 |
| SMILES | BrC1=CC(C2NC(=O)N=CC=2)=CC=C1 |
| Synonyms | 4-(3-bromophenyl)pyrimidin-2-ol,
888968-67-0,
2(1H)-Pyrimidinone, 4-(3-bromophenyl)-,
AK136271,
SCHEMBL480966,
KS-00000RNK,
DTXSID30726428,
YBUXCGXGEJLZBJ-UHFFFAOYSA-N,
4-(3-bromo-phenyl)-pyrimidin-2-ol,
MFCD17215826,
ZINC95080288,
AKOS022171851,
AKOS032952896,
DS-5367,
6-(3-Bromophenyl)pyrimidin-2(1H)-one,
AJ-132057,
AX8257839,
ST24042884,
ACN-025333,
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| 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 | 1 |
| 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
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Certificate of Analysis
Lot Number