| CAS Number | 1034131-89-9 |
| Catalog Number | AG00HA2I(AGN-PC-0WG44X) |
| Chemical Name | Methyl 5-((tert-butoxycarbonyl)(methyl)amino)-2-chloroisonicotinate |
| IUPAC Name | methyl 2-chloro-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylate |
| InChI | InChI=1S/C13H17ClN2O4/c1-13(2,3)20-12(18)16(4)9-7-15-10(14)6-8(9)11(17)19-5/h6-7H,1-5H3 |
| InChI Key | ZPAUQPSJRUYRRV-UHFFFAOYSA-N |
| MDL Number | MFCD24470723 |
| Molecular Formula | C13H17ClN2O4 |
| Molecular Weight | 300.7381 |
| SMILES | COC(=O)c1cc(Cl)ncc1N(C)C(=O)OC(C)(C)C |
| Synonyms | Methyl 5-((tert-butoxycarbonyl)(methyl)amino)-2-chloroisonicotinate,
1034131-89-9,
SCHEMBL12154830,
MFCD24470723,
ZINC149741402,
CS-0037291,
Methyl 5-((t-butoxycarbonyl)(methyl)amino)-2-chloroisonicotinate,
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| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.739g/mol |
| Monoisotopic Mass | 300.088g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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