| CAS Number | 1214336-33-0 |
| Catalog Number | AG0014TY(AGN-PC-0WCY97) |
| Chemical Name | 4-Pyridinecarboxylic acid, 2-bromo-5-chloro-, methyl ester |
| IUPAC Name | methyl 2-bromo-5-chloropyridine-4-carboxylate |
| InChI | InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-6(8)10-3-5(4)9/h2-3H,1H3 |
| InChI Key | ULWWIJRKBREIRR-UHFFFAOYSA-N |
| MDL Number | MFCD14698101 |
| Molecular Formula | C7H5BrClNO2 |
| Molecular Weight | 250.4771 |
| SMILES | BrC=1C=C(C(=O)OC)C(=CN1)Cl |
| Synonyms | Methyl 2-bromo-5-chloroisonicotinate,
1214336-33-0,
methyl 2-bromo-5-chloropyridine-4-carboxylate,
2-bromo-5-chloroisonicotinic acid methyl ester,
CS-D0439,
MFCD14698101,
ZINC47202492,
FCH1386930,
SB21124,
AK204222,
AS-32936,
DB-023442,
FT-0730322,
Methyl 2-bromo-5-chloro-4-pyridinecarboxylate,
4-Pyridinecarboxylic acid, 2-bromo-5-chloro-, methyl ester,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.476g/mol |
| Monoisotopic Mass | 248.919g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number