| CAS Number | 120568-10-7 |
| Catalog Number | AG01BXF2(AGN-PC-03ANH9) |
| Chemical Name | 8-(Trifluoromethyl)isoquinoline |
| IUPAC Name | 8-(trifluoromethyl)isoquinoline |
| InChI | InChI=1S/C10H6F3N/c11-10(12,13)9-3-1-2-7-4-5-14-6-8(7)9/h1-6H |
| InChI Key | ZZYLIBODFBDRNC-UHFFFAOYSA-N |
| MDL Number | MFCD12755889 |
| Molecular Formula | C10H6F3N |
| Molecular Weight | 197.1565 |
| SMILES | FC(C=1C=CC=C2C=CN=CC12)(F)F |
| Synonyms | 8-(TRIFLUOROMETHYL)ISOQUINOLINE,
120568-10-7,
8-trifluoromethylisoquinoline,
SCHEMBL5660797,
ZZYLIBODFBDRNC-UHFFFAOYSA-N,
Isoquinoline, 8-(trifluoromethyl)-,
ZINC95761079,
AKOS024182842,
AB65805,
N/A,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.16g/mol |
| Monoisotopic Mass | 197.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number