| CAS Number | 1780581-19-2 |
| Catalog Number | AG01BIOW |
| Chemical Name | 7-Bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 7-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline |
| InChI | InChI=1S/C9H9BrFN/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2 |
| InChI Key | MVNGHXOUJOLZIK-UHFFFAOYSA-N |
| MDL Number | MFCD30751365 |
| Molecular Formula | C9H9BrFN |
| Molecular Weight | 230.0769 |
| SMILES | FC1=C2C(CCNC2)=CC=C1Br |
| Synonyms | 7-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline,
1780581-19-2,
|
| 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 |
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Certificate of Analysis
Lot Number