| CAS Number | 380626-88-0 |
| Catalog Number | AG01FSBF(AGN-PC-0LLOHL) |
| Chemical Name | 2-(4-(Trifluoromethyl)phenyl)pyrazine |
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]pyrazine |
| InChI | InChI=1S/C11H7F3N2/c12-11(13,14)9-3-1-8(2-4-9)10-7-15-5-6-16-10/h1-7H |
| InChI Key | QLIZFCCVOYTJQJ-UHFFFAOYSA-N |
| MDL Number | MFCD00835027 |
| Molecular Formula | C11H7F3N2 |
| Molecular Weight | 224.1819 |
| SMILES | FC(C1=CC=C(C2=NC=CN=C2)C=C1)(F)F |
| Synonyms | 2-[4-(trifluoromethyl)phenyl]pyrazine,
380626-88-0,
2-(4-(Trifluoromethyl)phenyl)pyrazine,
SCHEMBL2858005,
QLIZFCCVOYTJQJ-UHFFFAOYSA-N,
ZINC33669905,
DA-06295,
Pyrazine, 2-[4-(trifluoromethyl)phenyl]-,
AK00779351,
FT-0733124,
AC1NNKAP,
CID5045814,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.056133g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.18g/mol |
| Monoisotopic Mass | 224.056133g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number