| CAS Number | 1261487-49-3 |
| Catalog Number | AG000RSV(AGN-PC-0WNH95) |
| Chemical Name | 2-Pyrazinecarboxylic acid, 3-fluoro-, methyl ester |
| IUPAC Name | methyl 3-fluoropyrazine-2-carboxylate |
| InChI | InChI=1S/C6H5FN2O2/c1-11-6(10)4-5(7)9-3-2-8-4/h2-3H,1H3 |
| InChI Key | YENSZQPOSMPDQW-UHFFFAOYSA-N |
| MDL Number | MFCD18413096 |
| Molecular Formula | C6H5FN2O2 |
| Molecular Weight | 156.1145 |
| SMILES | O=C(C1=NC=CN=C1F)OC |
| Synonyms | Methyl 3-fluoropyrazine-2-carboxylate,
1261487-49-3,
KS-000008TQ,
MFCD18413096,
AKOS030628591,
ZINC238364159,
AS-53246,
CS-0049096,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.116g/mol |
| Monoisotopic Mass | 156.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number