| CAS Number | 1368780-82-8 |
| Catalog Number | AG01C2H9 |
| Chemical Name | 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C9H9BrClN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,12H,1-3H2 |
| InChI Key | FIGCYUUCCAJSQG-UHFFFAOYSA-N |
| MDL Number | MFCD21972236 |
| Molecular Formula | C9H9BrClN |
| Molecular Weight | 246.5315 |
| SMILES | ClC1=CC2=C(NCCC2)C(Br)=C1 |
| Synonyms | 8-bromo-6-chloro-1,2,3,4-tetrahydroquinoline,
1368780-82-8,
SCHEMBL10912290,
ZINC82553262,
AKOS019067057,
Z2284433364,
|
| 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 | 3.6 |
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Certificate of Analysis
Lot Number