6-Bromo-5-chloro-2-pyridinecarboxylic Acid Methyl Ester - CAS 1214324-91-0
Catalog: |
BB072281 |
Product Name: |
6-Bromo-5-chloro-2-pyridinecarboxylic Acid Methyl Ester |
CAS: |
1214324-91-0 |
Synonyms: |
Methyl 6-bromo-5-chloropicolinate; methyl 6-bromo-5-chloropyridine-2-carboxylate; 6-Bromo-5-chloro-2-pyridinecarboxylic Acid Methyl Ester; Methyl6-bromo-5-chloropicolinate |
IUPAC Name: | methyl 6-bromo-5-chloropyridine-2-carboxylate |
Molecular Weight: | 250.48 |
Molecular Formula: | C7H5BrClNO2 |
Canonical SMILES: | COC(=O)C1=NC(=C(C=C1)Cl)Br |
InChI: | InChI=1S/C7H5BrClNO2/c1-12-7(11)5-3-2-4(9)6(8)10-5/h2-3H,1H3 |
InChI Key: | BXCLCDRWEDVROS-UHFFFAOYSA-N |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.91922 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.91922 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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