| CAS Number | 1935335-95-7 |
| Catalog Number | AG01DZ80 |
| Chemical Name | 5-Bromo-2-chloro-6-methyl-nicotinic acid methyl ester |
| IUPAC Name | methyl 5-bromo-2-chloro-6-methylpyridine-3-carboxylate |
| InChI | InChI=1S/C8H7BrClNO2/c1-4-6(9)3-5(7(10)11-4)8(12)13-2/h3H,1-2H3 |
| InChI Key | XWYPYOGYRFEUTO-UHFFFAOYSA-N |
| MDL Number | MFCD28968024 |
| Molecular Formula | C8H7BrClNO2 |
| Molecular Weight | 264.5037 |
| SMILES | BrC=1C(=NC(=C(C(=O)OC)C1)Cl)C |
| Synonyms | 5-BROMO-2-CHLORO-6-METHYL-NICOTINIC ACID METHYL ESTER,
1935335-95-7,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.503g/mol |
| Monoisotopic Mass | 262.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number