| CAS Number | 1206250-28-3 |
| Catalog Number | AG01EHA4(AGN-PC-3H45FC) |
| Chemical Name | Methyl 4-chloro-6-methylpicolinate |
| IUPAC Name | methyl 4-chloro-6-methylpyridine-2-carboxylate |
| InChI | InChI=1S/C8H8ClNO2/c1-5-3-6(9)4-7(10-5)8(11)12-2/h3-4H,1-2H3 |
| InChI Key | KAQXLVOZAVBDRT-UHFFFAOYSA-N |
| MDL Number | MFCD09839162 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | C(=O)(OC)c1cc(Cl)cc(n1)C |
| Synonyms | Methyl 4-chloro-6-methylpicolinate,
1206250-28-3,
methyl 4-chloro-6-methylpyridine-2-carboxylate,
SCHEMBL16232808,
2-Pyridinecarboxylic acid, 4-chloro-6-methyl-, methyl ester,
ZINC98175526,
AKOS006328771,
CS-0080806,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.607g/mol |
| Monoisotopic Mass | 185.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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