| CAS Number | 1211524-67-2 |
| Catalog Number | AG01DDWS |
| Chemical Name | 4-Chloro-5H-Pyrimido[4,5-b][1,4]Oxazin-6(7H)-One |
| IUPAC Name | 4-chloro-5H-pyrimido[4,5-b][1,4]oxazin-6-one |
| InChI | InChI=1S/C6H4ClN3O2/c7-5-4-6(9-2-8-5)12-1-3(11)10-4/h2H,1H2,(H,10,11) |
| InChI Key | RNPWYVDIKXJOJZ-UHFFFAOYSA-N |
| MDL Number | MFCD27981090 |
| Molecular Formula | C6H4ClN3O2 |
| Molecular Weight | 185.5679 |
| SMILES | O=C1NC2=C(Cl)N=CN=C2OC1 |
| Synonyms | 1211524-67-2,
4-Chloro-5H-pyrimido[4,5-b][1,4]oxazin-6(7H)-one,
ZINC217466994,
4-Chloro-5H-pyrimido[4,5-b][1,4]oxazin-6-one,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.999204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.57g/mol |
| Monoisotopic Mass | 184.999204g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Lot Number