| CAS Number | 1508878-66-7 |
| Catalog Number | AG01C2D4 |
| Chemical Name | 8-bromo-5-chloro-1,2,3,4-tetrahydroquinoline |
| IUPAC Name | 8-bromo-5-chloro-1,2,3,4-tetrahydroquinoline |
| InChI | InChI=1S/C9H9BrClN/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h3-4,12H,1-2,5H2 |
| InChI Key | MAJJEJCDRHIFTL-UHFFFAOYSA-N |
| MDL Number | MFCD24077820 |
| Molecular Formula | C9H9BrClN |
| Molecular Weight | 246.5315 |
| SMILES | ClC1=C2C(NCCC2)=C(Br)C=C1 |
| Synonyms | 8-bromo-5-chloro-1,2,3,4-tetrahydroquinoline,
1508878-66-7,
ZINC88122807,
AKOS019842101,
Z2284431758,
|
| 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