| CAS Number | 1342747-87-8 |
| Catalog Number | AG01A72Y(AGN-PC-0WOAYD) |
| Chemical Name | 5-Bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 5-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline |
| InChI | InChI=1S/C9H9BrFN/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-2,12H,3-5H2 |
| InChI Key | VEFJLANOEZRMJY-UHFFFAOYSA-N |
| MDL Number | MFCD20318957 |
| Molecular Formula | C9H9BrFN |
| Molecular Weight | 230.0769 |
| SMILES | FC1=C2C(CCNC2)=C(Br)C=C1 |
| Synonyms | 5-bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline,
1342747-87-8,
Isoquinoline, 5-bromo-8-fluoro-1,2,3,4-tetrahydro-,
SCHEMBL18524399,
ZINC70652876,
AKOS013710074,
NE22736,
|
| 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