| CAS Number | 18706-27-9 |
| Catalog Number | AG007S22(AGN-PC-07XU5Q) |
| Chemical Name | 4-Bromo-6-Methyl-2-(Trifluoromethyl)Quinoline |
| IUPAC Name | 4-bromo-6-methyl-2-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C11H7BrF3N/c1-6-2-3-9-7(4-6)8(12)5-10(16-9)11(13,14)15/h2-5H,1H3 |
| InChI Key | RUXCDQBNYFVNFC-UHFFFAOYSA-N |
| MDL Number | MFCD11855862 |
| Molecular Formula | C11H7BrF3N |
| Molecular Weight | 290.0792 |
| SMILES | Cc1ccc2c(c1)c(Br)cc(n2)C(F)(F)F |
| Synonyms | 4-BROMO-6-METHYL-2-(TRIFLUOROMETHYL)QUINOLINE,
18706-27-9,
Quinoline, 4-bromo-6-methyl-2-(trifluoromethyl)-,
ACMC-209ep5,
SCHEMBL15491345,
CTK0A4157,
DTXSID50674816,
ANW-23319,
MFCD11855862,
ZINC38537269,
AKOS015835374,
AJ-96025,
CJ-19409,
AX8231283,
TR-008651,
ST24023398,
V3984,
B-7574,
I08-538,
C11H7BrF3N,
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| 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
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Certificate of Analysis
Lot Number