| CAS Number | 162469-86-5 |
| Catalog Number | AG00ACWE(AGN-PC-0WB5U9) |
| Chemical Name | 2-(Chloromethyl)-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one |
| IUPAC Name | 2-(chloromethyl)-9-hydroxypyrido[1,2-a]pyrimidin-4-one |
| InChI | InChI=1S/C9H7ClN2O2/c10-5-6-4-8(14)12-3-1-2-7(13)9(12)11-6/h1-4,13H,5H2 |
| InChI Key | GDPDHDSSORRBEQ-UHFFFAOYSA-N |
| MDL Number | MFCD14702906 |
| Molecular Formula | C9H7ClN2O2 |
| Molecular Weight | 210.6171 |
| SMILES | ClCC=1N=C2N(C(C1)=O)C=CC=C2O |
| Synonyms | 2-(chloromethyl)-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one,
162469-86-5,
SCHEMBL17802261,
BB_SC-08594,
ZX-CM009227,
BBL032495,
MFCD14702906,
STK933939,
ZINC40162945,
AKOS005663944,
FCH1387542,
MCULE-6160470644,
AJ-101585,
Y-7541,
2-(chloromethyl)-9-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one(SALTDATA,
GDPDHDSSORRBEQ-UHFFFAOYSA-N,
(2-Methoxyethyl)(3-thienylmethyl)amine hydrochloride,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.617g/mol |
| Monoisotopic Mass | 210.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number