| CAS Number | 2094312-52-2 |
| Catalog Number | AG01E82D |
| Chemical Name | 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride |
| IUPAC Name | 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
| InChI | InChI=1S/C9H9BrFN.ClH/c10-9-4-7(11)3-6-1-2-12-5-8(6)9;/h3-4,12H,1-2,5H2;1H |
| InChI Key | QBQFXHKWMBNVJU-UHFFFAOYSA-N |
| MDL Number | MFCD30730454 |
| Molecular Formula | C9H10BrClFN |
| Molecular Weight | 266.5378 |
| SMILES | Cl.FC1=CC2=C(CNCC2)C(Br)=C1 |
| Synonyms | 8-bromo-6-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride,
AKOS033982929,
Z2692095171,
2094312-52-2,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.538g/mol |
| Monoisotopic Mass | 264.967g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number