| CAS Number | 1226898-92-5 |
| Catalog Number | AG009IZM(AGN-PC-0WAZ4G) |
| Chemical Name | tert-Butyl 2-chloro-5-oxo-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate |
| IUPAC Name | tert-butyl 2-chloro-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate |
| InChI | InChI=1S/C13H15ClN2O3/c1-13(2,3)19-12(18)16-7-6-9-8(11(16)17)4-5-10(14)15-9/h4-5H,6-7H2,1-3H3 |
| InChI Key | NZUPOTKGOUDRKP-UHFFFAOYSA-N |
| MDL Number | MFCD16658782 |
| Molecular Formula | C13H15ClN2O3 |
| Molecular Weight | 282.7228 |
| SMILES | O=C(N1CCc2c(C1=O)ccc(n2)Cl)OC(C)(C)C |
| Synonyms | 1226898-92-5,
2-chloro-7,8-dihydro-5-oxo-1,6-Naphthyridine-6(5H)-carboxylic acid 1,1-dimethylethyl ester,
tert-butyl 2-chloro-5-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate,
tert-butyl 2-chloro-5-oxo-7,8-dihydro-1,6-naphthyridine-6(5h)-carboxylate,
SCHEMBL3400140,
AKOS024255672,
ZINC169620342,
SB11871,
KS-0000246N,
CS-0055591,
CS-4192,
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| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.724g/mol |
| Monoisotopic Mass | 282.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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