| CAS Number | 120568-09-4 |
| Catalog Number | AG01AMBF(AGN-PC-02U0CE) |
| Chemical Name | 5-(trifluoromethyl)isoquinoline |
| IUPAC Name | 5-(trifluoromethyl)isoquinoline |
| InChI | InChI=1S/C10H6F3N/c11-10(12,13)9-3-1-2-7-6-14-5-4-8(7)9/h1-6H |
| InChI Key | BFXXUPORXKYIBL-UHFFFAOYSA-N |
| MDL Number | MFCD11100536 |
| Molecular Formula | C10H6F3N |
| Molecular Weight | 197.1565 |
| SMILES | C1=CC2=CN=CC=C2C(=C1)C(F)(F)F |
| Synonyms | 5-(TRIFLUOROMETHYL)ISOQUINOLINE,
120568-09-4,
SCHEMBL11137238,
CTK7B6863,
Isoquinoline, 5-(trifluoromethyl)-,
BBL103010,
STL556819,
ZINC30714870,
AKOS005255478,
TR-055127,
Z-1457,
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