| CAS Number | 1242446-83-8 |
| Catalog Number | AG01C4Q2 |
| Chemical Name | 4-Chloro-5H,6H-pyrido[3,2-d]pyrimidin-6-one |
| IUPAC Name | 4-chloro-5H-pyrido[3,2-d]pyrimidin-6-one |
| InChI | InChI=1S/C7H4ClN3O/c8-7-6-4(9-3-10-7)1-2-5(12)11-6/h1-3H,(H,11,12) |
| InChI Key | YZLSXWSBFPWUGT-UHFFFAOYSA-N |
| MDL Number | MFCD29906970 |
| Molecular Formula | C7H4ClN3O |
| Molecular Weight | 181.5792 |
| SMILES | ClC=1C2=C(N=CN1)C=CC(N2)=O |
| Synonyms | 4-chloro-5H,6H-pyrido[3,2-d]pyrimidin-6-one,
1242446-83-8,
SCHEMBL1724848,
ZINC116940502,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.579g/mol |
| Monoisotopic Mass | 181.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number