| CAS Number | 1133115-91-9 |
| Catalog Number | AG003NHS(AGN-PC-0WNR82) |
| Chemical Name | 8-Bromo-5-(trifluoromethoxy)quinoline |
| IUPAC Name | 8-bromo-5-(trifluoromethoxy)quinoline |
| InChI | InChI=1S/C10H5BrF3NO/c11-7-3-4-8(16-10(12,13)14)6-2-1-5-15-9(6)7/h1-5H |
| InChI Key | KAZNMBQBMIYTGM-UHFFFAOYSA-N |
| MDL Number | MFCD11855905 |
| Molecular Formula | C10H5BrF3NO |
| Molecular Weight | 292.0520 |
| SMILES | Brc1ccc(c2c1nccc2)OC(F)(F)F |
| Synonyms | 8-BROMO-5-(TRIFLUOROMETHOXY)QUINOLINE,
1133115-91-9,
ACMC-2099ir,
CTK4A8231,
DTXSID00674886,
ANW-16609,
MFCD11855905,
ZINC38537334,
AKOS015834742,
RTR-002564,
AJ-96079,
CJ-19442,
AX8251509,
TR-002564,
CS-0087904,
Z7446,
A-4998,
I08-562,
J-002942,
C10H5BrF3NO,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.055g/mol |
| Monoisotopic Mass | 290.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number