| CAS Number | 64196-43-6 |
| Catalog Number | AG01FOHK(AGN-PC-0NIRIT) |
| Chemical Name | 2-Phenyl-4-(trifluoromethyl)quinoline |
| IUPAC Name | 2-phenyl-4-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C16H10F3N/c17-16(18,19)13-10-15(11-6-2-1-3-7-11)20-14-9-5-4-8-12(13)14/h1-10H |
| InChI Key | VQIABGRPTYQIDI-UHFFFAOYSA-N |
| MDL Number | MFCD11226599 |
| Molecular Formula | C16H10F3N |
| Molecular Weight | 273.2525 |
| SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(F)(F)F |
| Synonyms | 2-PHENYL-4-(TRIFLUOROMETHYL)QUINOLINE,
64196-43-6,
BBL100914,
STL554708,
ZINC77011101,
AKOS005255637,
Y-9595,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.258g/mol |
| Monoisotopic Mass | 273.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number