| CAS Number | 1086110-83-9 |
| Catalog Number | AG01FPON(AGN-PC-3H5P1M) |
| Chemical Name | 6-Chloro-N-methylpyrazine-2-carboxamide |
| IUPAC Name | 6-chloro-N-methylpyrazine-2-carboxamide |
| InChI | InChI=1S/C6H6ClN3O/c1-8-6(11)4-2-9-3-5(7)10-4/h2-3H,1H3,(H,8,11) |
| InChI Key | BDSWTSYJWGTGCW-UHFFFAOYSA-N |
| MDL Number | MFCD22398573 |
| Molecular Formula | C6H6ClN3O |
| Molecular Weight | 171.5843 |
| SMILES | CNC(C1=NC(Cl)=CN=C1)=O |
| Synonyms | 6-chloro-N-methylpyrazine-2-carboxamide,
SCHEMBL2847725,
BDSWTSYJWGTGCW-UHFFFAOYSA-N,
1086110-83-9,
2-Pyrazinecarboxamide, 6-chloro-N-methyl-,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.019939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.58g/mol |
| Monoisotopic Mass | 171.019939g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number