| CAS Number | 1261956-53-9 |
| Catalog Number | AG009BSA(AGN-PC-0WACBB) |
| Chemical Name | 8-Bromo-6-trifluoromethoxyquinoline, HCl |
| IUPAC Name | 8-bromo-6-(trifluoromethoxy)quinoline;hydrochloride |
| InChI | InChI=1S/C10H5BrF3NO.ClH/c11-8-5-7(16-10(12,13)14)4-6-2-1-3-15-9(6)8;/h1-5H;1H |
| InChI Key | UGOUYJAQPGUZED-UHFFFAOYSA-N |
| MDL Number | MFCD18311906 |
| Molecular Formula | C10H6BrClF3NO |
| Molecular Weight | 328.5129 |
| SMILES | Brc1cc(cc2c1nccc2)OC(F)(F)F.Cl |
| Synonyms | 1261956-53-9,
8-Bromo-6-trifluoromethoxyquinoline, HCl,
8-Bromo-6-trifluoromethoxyquinoline hydrochloride,
C10H5BrF3NO.HCl,
DTXSID20682468,
MFCD18311906,
AKOS015897186,
8-Bromo-6-trifluoromethoxyquinoline HCl,
Z9210,
B-3724,
I08-988,
8-Bromo-6-(trifluoromethoxy)quinoline--hydrogen chloride (1/1),
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.513g/mol |
| Monoisotopic Mass | 326.927g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number