| CAS Number | 1303587-99-6 |
| Catalog Number | AG01DV7P |
| Chemical Name | 2-chloro-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine |
| IUPAC Name | 2-chloro-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine |
| InChI | InChI=1S/C6H6ClN3O/c7-6-9-3-4-5(10-6)8-1-2-11-4/h3H,1-2H2,(H,8,9,10) |
| InChI Key | GYQORXHFUXETMQ-UHFFFAOYSA-N |
| MDL Number | MFCD20688597 |
| Molecular Formula | C6H6ClN3O |
| Molecular Weight | 171.5843 |
| SMILES | ClC1=NC2=C(OCCN2)C=N1 |
| Synonyms | 2-Chloro-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazine,
1303587-99-6,
SCHEMBL12654074,
GYQORXHFUXETMQ-UHFFFAOYSA-N,
ZINC95933436,
AKOS022185388,
AJ-137969,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.584g/mol |
| Monoisotopic Mass | 171.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 47A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number