| CAS Number | 1341214-45-6 |
| Catalog Number | AG01A1BW(AGN-PC-0WOECR) |
| Chemical Name | 8-Bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline |
| InChI | InChI=1S/C9H9BrFN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-2,12H,3-5H2 |
| InChI Key | VVZOZQVEJFKOPE-UHFFFAOYSA-N |
| MDL Number | MFCD18306474 |
| Molecular Formula | C9H9BrFN |
| Molecular Weight | 230.0769 |
| SMILES | FC1=CC=C(Br)C2=C1CCNC2 |
| Synonyms | 8-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline,
1341214-45-6,
Isoquinoline, 8-bromo-5-fluoro-1,2,3,4-tetrahydro-,
SCHEMBL15056295,
ZINC70821218,
AKOS012576113,
Z2218586251,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.08g/mol |
| Monoisotopic Mass | 228.99g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number