| CAS Number | 260973-04-4 |
| Catalog Number | AG002RNK(AGN-PC-0MY4JP) |
| Chemical Name | 4-Bromo-8-methyl-2-(trifluoromethyl)quinoline |
| IUPAC Name | 4-bromo-8-methyl-2-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C11H7BrF3N/c1-6-3-2-4-7-8(12)5-9(11(13,14)15)16-10(6)7/h2-5H,1H3 |
| InChI Key | SCXMBKLFZUGDQN-UHFFFAOYSA-N |
| MDL Number | MFCD12026047 |
| Molecular Formula | C11H7BrF3N |
| Molecular Weight | 290.0792 |
| SMILES | FC(C1=NC2=C(C)C=CC=C2C(Br)=C1)(F)F |
| Synonyms | 4-bromo-8-methyl-2-(trifluoromethyl)quinoline,
260973-04-4,
ACMC-209go8,
SCHEMBL6806506,
CTK4F7062,
DTXSID10435046,
ANW-25878,
MFCD12026047,
ZINC34150414,
AKOS015835372,
RTR-011799,
AJ-87179,
CJ-18210,
AX8231284,
TR-011799,
V4748,
I08-537,
Quinoline, 4-bromo-8-methyl-2-(trifluoromethyl)-,
C11H7BrF3N,
CID10062784,
|
| 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
|
H302
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number