| CAS Number | 1780593-58-9 |
| Catalog Number | AG01DYW7 |
| Chemical Name | 4-Bromo-8-(trifluoromethyl)isoquinoline |
| IUPAC Name | 4-bromo-8-(trifluoromethyl)isoquinoline |
| InChI | InChI=1S/C10H5BrF3N/c11-9-5-15-4-7-6(9)2-1-3-8(7)10(12,13)14/h1-5H |
| InChI Key | CWMSASSMSQZJJF-UHFFFAOYSA-N |
| MDL Number | MFCD31616093 |
| Molecular Formula | C10H5BrF3N |
| Molecular Weight | 276.0526 |
| SMILES | FC(C1=CC=CC2=C1C=NC=C2Br)(F)F |
| Synonyms | 4-Bromo-8-(trifluoromethyl)isoquinoline,
1780593-58-9,
AKOS024182841,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.056g/mol |
| Monoisotopic Mass | 274.956g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number