| CAS Number | 954579-56-7 |
| Catalog Number | AG01C29N |
| Chemical Name | 6,7,8-trifluoro-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 6,7,8-trifluoro-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C9H8F3N/c10-6-4-5-2-1-3-13-9(5)8(12)7(6)11/h4,13H,1-3H2 |
| InChI Key | SBSKUFPXZLFLMW-UHFFFAOYSA-N |
| MDL Number | MFCD09742601 |
| Molecular Formula | C9H8F3N |
| Molecular Weight | 187.1617 |
| SMILES | FC1=C(F)C(F)=C2C(CCCN2)=C1 |
| Synonyms | 6,7,8-TRIFLUORO-1,2,3,4-TETRAHYDROQUINOLINE,
954579-56-7,
CTK7B7859,
ZINC19261220,
AKOS000149470,
Z2255110296,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.165g/mol |
| Monoisotopic Mass | 187.061g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number