| CAS Number | 1394041-95-2 |
| Catalog Number | AG019ZQ8(AGN-PC-0WOU06) |
| Chemical Name | 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride |
| IUPAC Name | 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride |
| InChI | InChI=1S/C9H9BrFN.ClH/c10-7-3-6-5-12-2-1-8(6)9(11)4-7;/h3-4,12H,1-2,5H2;1H |
| InChI Key | PQPDPAVGKHGJNI-UHFFFAOYSA-N |
| MDL Number | MFCD22375305 |
| Molecular Formula | C9H10BrClFN |
| Molecular Weight | 266.5378 |
| SMILES | C1CNCC2=CC(=CC(=C12)F)Br.Cl |
| Synonyms | 1394041-95-2,
7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline hydrochloride,
7-Bromo-5-fluoro-1,2,3,4-tetrahydro-isoquinoline hydrochloride,
AKOS026743502,
NE54713,
RP29500,
|
| 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