| CAS Number | 1803583-09-6 |
| Catalog Number | AG00AM1Z(AGN-PC-0WOTE4) |
| Chemical Name | Methyl 6-chloro-5-nitropicolinate |
| IUPAC Name | methyl 6-chloro-5-nitropyridine-2-carboxylate |
| InChI | InChI=1S/C7H5ClN2O4/c1-14-7(11)4-2-3-5(10(12)13)6(8)9-4/h2-3H,1H3 |
| InChI Key | GLAHCGFYRJZAGY-UHFFFAOYSA-N |
| MDL Number | MFCD28139347 |
| Molecular Formula | C7H5ClN2O4 |
| Molecular Weight | 216.5786 |
| SMILES | C(=O)(OC)c1nc(Cl)c(cc1)N(=O)=O |
| Synonyms | Methyl 6-chloro-5-nitropicolinate,
1803583-09-6,
methyl 6-chloro-5-nitropyridine-2-carboxylate,
SCHEMBL20266533,
MFCD28139347,
AKOS026743083,
ZINC216634597,
AK00739562,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.577g/mol |
| Monoisotopic Mass | 215.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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