| CAS Number | 1365988-38-0 |
| Catalog Number | AG001246(AGN-PC-0WD6SZ) |
| Chemical Name | PYRAZINE, 2-BROMO-3-(TRIFLUOROMETHYL)- |
| IUPAC Name | 2-bromo-3-(trifluoromethyl)pyrazine |
| InChI | InChI=1S/C5H2BrF3N2/c6-4-3(5(7,8)9)10-1-2-11-4/h1-2H |
| InChI Key | VGNSVGGZQMQYMT-UHFFFAOYSA-N |
| MDL Number | MFCD21602139 |
| Molecular Formula | C5H2BrF3N2 |
| Molecular Weight | 226.9820 |
| SMILES | BrC1=NC=CN=C1C(F)(F)F |
| Synonyms | 2-bromo-3-(trifluoromethyl)pyrazine,
1365988-38-0,
SCHEMBL15583082,
3-Bromo-2-trifluoromethylpyrazine,
ZINC79387509,
Pyrazine, 2-bromo-3-(trifluoromethyl)-,
|
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number