| CAS Number | 16867-55-3 |
| Catalog Number | AG01A353(AGN-PC-0Q9ABI) |
| Chemical Name | ethyl 7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate |
| IUPAC Name | ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate |
| InChI | InChI=1S/C11H9ClN2O3/c1-2-17-11(16)8-5-13-9-4-3-7(12)6-14(9)10(8)15/h3-6H,2H2,1H3 |
| InChI Key | AQDZYTGKOBFITO-UHFFFAOYSA-N |
| MDL Number | MFCD20922945 |
| Molecular Formula | C11H9ClN2O3 |
| Molecular Weight | 252.6538 |
| SMILES | CCOC(C1C(=O)N2C(C=CC(=C2)Cl)=NC=1)=O |
| Synonyms | ethyl 7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate,
16867-55-3,
AC1N06B3,
SCHEMBL11640185,
STK063420,
ZINC27838943,
AKOS015997352,
MCULE-5117400651,
NE16703,
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate,
CID3932782,
7-Chloro-4H-pyrido[1,2-a]pyrimidine-4-oxo-3-carboxylic acid ethyl ester,
Ethyl 3-chloro-10-oxo-1,7-diazabicyclo[4.4.0]deca-2,4,6,8-tetraene-9-carboxylate,
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| Complexity | 503 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.654g/mol |
| Monoisotopic Mass | 252.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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