6-Fluoro-3-oxo-3,4-dihydro-2-pyrazinecarboxylic Acid Methyl Ester - CAS 356783-27-2
Catalog: |
BB063366 |
Product Name: |
6-Fluoro-3-oxo-3,4-dihydro-2-pyrazinecarboxylic Acid Methyl Ester |
CAS: |
356783-27-2 |
Synonyms: |
methyl 6-fluoro-3-hydroxypyrazine-2-carboxylate; methyl 5-fluoro-2-oxo-1H-pyrazine-3-carboxylate; methyl 6-fluoro-3-oxo-3,4-dihydro-2-pyrazinecarboxylate; methyl6-fluoro-3-hydroxypyrazine-2-carboxylate |
IUPAC Name: | methyl 5-fluoro-2-oxo-1H-pyrazine-3-carboxylate |
Molecular Weight: | 172.11 |
Molecular Formula: | C6H5FN2O3 |
Canonical SMILES: | COC(=O)C1=NC(=CNC1=O)F |
InChI: | InChI=1S/C6H5FN2O3/c1-12-6(11)4-5(10)8-2-3(7)9-4/h2H,1H3,(H,8,10) |
InChI Key: | UWAQOOMADZVENS-UHFFFAOYSA-N |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.02842019 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.02842019 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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