| CAS Number | 1204295-56-6 |
| Catalog Number | AG00K4PI(AGN-PC-0WC5HJ) |
| Chemical Name | 2-Methyl-3-(trifluoromethyl)pyrazine |
| IUPAC Name | 2-methyl-3-(trifluoromethyl)pyrazine |
| InChI | InChI=1S/C6H5F3N2/c1-4-5(6(7,8)9)11-3-2-10-4/h2-3H,1H3 |
| InChI Key | VUPRXJGQBKPZNW-UHFFFAOYSA-N |
| MDL Number | MFCD14525502 |
| Molecular Formula | C6H5F3N2 |
| Molecular Weight | 162.1125 |
| SMILES | CC1=NC=CN=C1C(F)(F)F |
| Synonyms | 2-METHYL-3-(TRIFLUOROMETHYL)PYRAZINE,
1204295-56-6,
2-Methyl-3-trifluoromethylpyrazine,
MFCD14525502,
SCHEMBL2305723,
CTK6C4474,
ZINC49581120,
AKOS005257980,
AJ-111050,
TR-070922,
Z-0566,
2-Methyl-3-(trifluoromethyl)pyrazine, AldrichCPR,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.115g/mol |
| Monoisotopic Mass | 162.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number