| CAS Number | 1170370-51-0 |
| Catalog Number | AG000DLN(AGN-PC-01A9G4) |
| Chemical Name | 6-Bromo-4-chloro-2-isopropylquinoline hydrochloride |
| IUPAC Name | 6-bromo-4-chloro-2-propan-2-ylquinoline;hydrochloride |
| InChI | InChI=1S/C12H11BrClN.ClH/c1-7(2)12-6-10(14)9-5-8(13)3-4-11(9)15-12;/h3-7H,1-2H3;1H |
| InChI Key | QJPXTZSHWUMPIV-UHFFFAOYSA-N |
| MDL Number | MFCD09475440 |
| Molecular Formula | C12H12BrCl2N |
| Molecular Weight | 321.0404 |
| SMILES | Brc1ccc2c(c1)c(Cl)cc(n2)C(C)C.Cl |
| Synonyms | 6-Bromo-4-chloro-2-isopropylquinoline hydrochloride,
1170370-51-0,
CTK8E5363,
DTXSID50588924,
MFCD09475440,
AKOS025394172,
AB50624,
OR307873,
RT-017128,
T6191,
6-Bromo-4-chloro-2-(propan-2-yl)quinoline--hydrogen chloride (1/1),
Quinoline, 6-bromo-4-chloro-2-(1-methylethyl)-, hydrochloride (1:1),
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.039g/mol |
| Monoisotopic Mass | 318.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number