| CAS Number | 1070879-58-1 |
| Catalog Number | AG007B68(AGN-PC-05T2XS) |
| Chemical Name | 4-Bromo-2-methyl-8-trifluoromethylquinoline |
| IUPAC Name | 4-bromo-2-methyl-8-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C11H7BrF3N/c1-6-5-9(12)7-3-2-4-8(10(7)16-6)11(13,14)15/h2-5H,1H3 |
| InChI Key | VJVRBBWVMROPSN-UHFFFAOYSA-N |
| MDL Number | MFCD11505142 |
| Molecular Formula | C11H7BrF3N |
| Molecular Weight | 290.0792 |
| SMILES | Cc1cc(Br)c2c(n1)c(ccc2)C(F)(F)F |
| Synonyms | 4-Bromo-2-methyl-8-trifluoromethylquinoline,
1070879-58-1,
4-bromo-2-methyl-8-(trifluoromethyl)quinoline,
CTK4A4987,
DTXSID50653707,
MFCD11505142,
ZINC32099875,
AKOS022889602,
PC404573,
RT-016895,
T6147,
4-Bromo-2-methyl-8-trifluoromethylquinoline, AldrichCPR,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.083g/mol |
| Monoisotopic Mass | 288.971g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number