| CAS Number | 19874-98-7 |
| Catalog Number | AG002BQB(AGN-PC-0WCYWI) |
| Chemical Name | 4(1H)-Pyrimidinone, 6-chloro-2-(chloromethyl)- |
| IUPAC Name | 4-chloro-2-(chloromethyl)-1H-pyrimidin-6-one |
| InChI | InChI=1S/C5H4Cl2N2O/c6-2-4-8-3(7)1-5(10)9-4/h1H,2H2,(H,8,9,10) |
| InChI Key | XRGQFAWFSGFRSN-UHFFFAOYSA-N |
| MDL Number | MFCD17019411 |
| Molecular Formula | C5H4Cl2N2O |
| Molecular Weight | 179.0041 |
| SMILES | O=C1N=C(CCl)NC(Cl)=C1 |
| Synonyms | 19874-98-7,
6-CHLORO-2-(CHLOROMETHYL)-4(1H)-PYRIMIDINONE,
6-Chloro-2-(chloromethyl)pyrimidin-4(1H)-one,
6-chloro-2-(chloromethyl)pyrimidin-4(3H)-one,
DTXSID30680995,
CS-D1322,
MFCD17019411,
ZINC64033899,
FCH1411400,
AK342101,
AS-42088,
DB-010264,
FT-0703971,
6-chloro-2-chloromethyl-3h-pyrimidin-4-one,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179g/mol |
| Monoisotopic Mass | 177.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number