| CAS Number | 926236-92-2 |
| Catalog Number | AG019MG6(AGN-PC-0WO3TY) |
| Chemical Name | 7-bromo-2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| IUPAC Name | 7-bromo-2-(hydroxymethyl)pyrido[1,2-a]pyrimidin-4-one |
| InChI | InChI=1S/C9H7BrN2O2/c10-6-1-2-8-11-7(5-13)3-9(14)12(8)4-6/h1-4,13H,5H2 |
| InChI Key | FTHCWOHHXOTFAP-UHFFFAOYSA-N |
| MDL Number | MFCD08442276 |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.0681 |
| SMILES | OCC1N=C2N(C=C(C=C2)Br)C(=O)C=1 |
| Synonyms | 7-bromo-2-(hydroxymethyl)-4H-pyrido[1,2-a]pyrimidin-4-one,
926236-92-2,
AC1Q7BYV,
CTK8A2455,
ZINC20283253,
AKOS002433853,
MCULE-3955213553,
NE46652,
EN300-36090,
Z228585696,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.071g/mol |
| Monoisotopic Mass | 253.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number