| CAS Number | 1214332-69-0 |
| Catalog Number | AG009ET6 |
| Chemical Name | Ethyl 2-bromo-3-fluoroisonicotinate |
| IUPAC Name | ethyl 2-bromo-3-fluoropyridine-4-carboxylate |
| InChI | InChI=1S/C8H7BrFNO2/c1-2-13-8(12)5-3-4-11-7(9)6(5)10/h3-4H,2H2,1H3 |
| InChI Key | QHJFMIDZCWWGTC-UHFFFAOYSA-N |
| MDL Number | MFCD14698317 |
| Molecular Formula | C8H7BrFNO2 |
| Molecular Weight | 248.0491 |
| SMILES | BrC=1C(=C(C(=O)OCC)C=CN1)F |
| Synonyms | Ethyl 2-bromo-3-fluoroisonicotinate,
1214332-69-0,
ethyl 2-bromo-3-fluoropyridine-4-carboxylate,
ZINC47203020,
C-0436,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.051g/mol |
| Monoisotopic Mass | 246.964g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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