| CAS Number | 1820664-86-5 |
| Catalog Number | AG00I0PT(AGN-PC-0WOCDO) |
| Chemical Name | Methyl 5-bromo-3,6-dichloropyridine-2-carboxylate |
| IUPAC Name | methyl 5-bromo-3,6-dichloropyridine-2-carboxylate |
| InChI | InChI=1S/C7H4BrCl2NO2/c1-13-7(12)5-4(9)2-3(8)6(10)11-5/h2H,1H3 |
| InChI Key | MAISURFCXQJBHB-UHFFFAOYSA-N |
| MDL Number | MFCD28397302 |
| Molecular Formula | C7H4BrCl2NO2 |
| Molecular Weight | 284.9222 |
| SMILES | COC(=O)c1nc(Cl)c(cc1Cl)Br |
| Synonyms | Methyl 5-bromo-3,6-dichloropicolinate,
1820664-86-5,
ZINC217049447,
METHYL 5-BROMO-3,6-DICHLOROPYRIDINE-2-CARBOXYLATE,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.88g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.918g/mol |
| Monoisotopic Mass | 282.88g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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