| CAS Number | 1175271-71-2 |
| Catalog Number | AG008WDB(AGN-PC-0WNMQP) |
| Chemical Name | 8-(Trifluoromethyl)isoquinolin-3-ol |
| IUPAC Name | 8-(trifluoromethyl)-2H-isoquinolin-3-one |
| InChI | InChI=1S/C10H6F3NO/c11-10(12,13)8-3-1-2-6-4-9(15)14-5-7(6)8/h1-5H,(H,14,15) |
| InChI Key | GHLCOMBXKHUYLA-UHFFFAOYSA-N |
| MDL Number | MFCD22380393 |
| Molecular Formula | C10H6F3NO |
| Molecular Weight | 213.1559 |
| SMILES | C1=CC2=CC(=O)NC=C2C(=C1)C(F)(F)F |
| Synonyms | 8-(Trifluoromethyl)isoquinolin-3-ol,
1175271-71-2,
SCHEMBL2749000,
8-Trifluoromethylisoquinolin-3-ol,
GHLCOMBXKHUYLA-UHFFFAOYSA-N,
MFCD22380393,
AKOS027425050,
3(2H)-Isoquinolinone, 8-(trifluoromethyl)-,
C-0539,
8-(trifluoromethyl)isoquinolin-3(2H)-one,
8-(trifluoromethyl)isoquinolin-3-ol, 95% - 1G 1g,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.159g/mol |
| Monoisotopic Mass | 213.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number