| CAS Number | 1329833-74-0 |
| Catalog Number | AG01DM5Z(AGN-PC-0WBMQA) |
| Chemical Name | 2-Chloro-5,6-dimethyl-4-methoxy Nicotinic Acid Methyl Ester |
| IUPAC Name | methyl 2-chloro-4-methoxy-5,6-dimethylpyridine-3-carboxylate |
| InChI | InChI=1S/C10H12ClNO3/c1-5-6(2)12-9(11)7(8(5)14-3)10(13)15-4/h1-4H3 |
| InChI Key | DKEGJYCVRWYPGT-UHFFFAOYSA-N |
| MDL Number | MFCD11553143 |
| Molecular Formula | C10H12ClNO3 |
| Molecular Weight | 229.6602 |
| SMILES | COC(=O)c1c(Cl)nc(C)c(C)c1OC |
| Synonyms | 1329833-74-0,
2-Chloro-5,6-dimethyl-4-methoxy Nicotinic Acid Methyl Ester,
Methyl 2-chloro-4-methoxy-5,6-dimethylnicotinate,
ZINC65739255,
Methyl 2-Chloro-4-methoxy-5,6-dimethyl-3-pyridinecarboxylate,
2-Chloro-4-methoxy-5,6-dimethyl-3-pyridinecarboxylic Acid Methyl Ester,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.66g/mol |
| Monoisotopic Mass | 229.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number