| CAS Number | 1445891-27-9 |
| Catalog Number | AG01BK9Y |
| Chemical Name | 8-Bromo-5-Chloro-1,2,3,4-Tetrahydroisoquinoline |
| IUPAC Name | 8-bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline |
| InChI | InChI=1S/C9H9BrClN/c10-8-1-2-9(11)6-3-4-12-5-7(6)8/h1-2,12H,3-5H2 |
| InChI Key | FKUPERICYLCFLB-UHFFFAOYSA-N |
| MDL Number | MFCD21706123 |
| Molecular Formula | C9H9BrClN |
| Molecular Weight | 246.5315 |
| SMILES | ClC1=CC=C(Br)C2=C1CCNC2 |
| Synonyms | 8-bromo-5-chloro-1,2,3,4-tetrahydroisoquinoline,
1445891-27-9,
Isoquinoline, 8-bromo-5-chloro-1,2,3,4-tetrahydro-,
SCHEMBL18524323,
AKOS015501344,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.532g/mol |
| Monoisotopic Mass | 244.961g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number