| CAS Number | 217181-68-5 |
| Catalog Number | AG01A2PI |
| Chemical Name | 7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid |
| IUPAC Name | 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid |
| InChI | InChI=1S/C9H5ClN2O3/c10-5-1-2-7-11-3-6(9(14)15)8(13)12(7)4-5/h1-4H,(H,14,15) |
| InChI Key | JUBPXNHDNQHKKG-UHFFFAOYSA-N |
| MDL Number | MFCD09732698 |
| Molecular Formula | C9H5ClN2O3 |
| Molecular Weight | 224.6006 |
| SMILES | OC(C1C(=O)N2C(C=CC(=C2)Cl)=NC=1)=O |
| Synonyms | 7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid,
217181-68-5,
CTK6H2235,
BBL031418,
STL251320,
ZINC22175708,
AKOS000141184,
MCULE-2680521745,
NE57050,
7-Chloro-4H-pyrido[1,2-a]pyrimidine-4-oxo-3-carboxylic acid,
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| Complexity | 474 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.6g/mol |
| Monoisotopic Mass | 223.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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