| CAS Number | 1197237-95-8 |
| Catalog Number | AG000PKB(AGN-PC-0WGGFR) |
| Chemical Name | Pyrazine, 2-bromo-6-(trifluoromethyl)- |
| IUPAC Name | 2-bromo-6-(trifluoromethyl)pyrazine |
| InChI | InChI=1S/C5H2BrF3N2/c6-4-2-10-1-3(11-4)5(7,8)9/h1-2H |
| InChI Key | HUCJZLJSTLNVJK-UHFFFAOYSA-N |
| MDL Number | MFCD14702730 |
| Molecular Formula | C5H2BrF3N2 |
| Molecular Weight | 226.9820 |
| SMILES | BrC1=NC(=CN=C1)C(F)(F)F |
| Synonyms | 1197237-95-8,
2-Bromo-6-trifluoromethylpyrazine,
2-bromo-6-(trifluoromethyl)pyrazine,
Pyrazine, 2-bromo-6-(trifluoromethyl)-,
DTXSID50719195,
MFCD14702730,
ZINC72193266,
AKOS015946535,
MB14122,
AS-48034,
L-1995,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.984g/mol |
| Monoisotopic Mass | 225.935g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number