| CAS Number | 1820612-76-7 |
| Catalog Number | AG00I0IL(AGN-PC-0WOCBZ) |
| Chemical Name | Methyl 5-bromo-3-chloro-6-hydroxypyridine-2-carboxylate |
| IUPAC Name | methyl 5-bromo-3-chloro-6-oxo-1H-pyridine-2-carboxylate |
| InChI | InChI=1S/C7H5BrClNO3/c1-13-7(12)5-4(9)2-3(8)6(11)10-5/h2H,1H3,(H,10,11) |
| InChI Key | ULSMCUBUZZOFMC-UHFFFAOYSA-N |
| MDL Number | MFCD28397297 |
| Molecular Formula | C7H5BrClNO3 |
| Molecular Weight | 266.4765 |
| SMILES | COC(=O)c1nc(O)c(cc1Cl)Br |
| Synonyms | 1820612-76-7,
Methyl 5-bromo-3-chloro-6-hydroxypicolinate,
METHYL 5-BROMO-3-CHLORO-6-HYDROXYPYRIDINE-2-CARBOXYLATE,
AKOS027365847,
ZINC217048082,
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| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.914g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.475g/mol |
| Monoisotopic Mass | 264.914g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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