| CAS Number | 1239462-41-9 |
| Catalog Number | AG000L95(AGN-PC-0WCY9T) |
| Chemical Name | 5-Bromo-3-(trifluoromethyl)quinoline |
| IUPAC Name | 5-bromo-3-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C10H5BrF3N/c11-8-2-1-3-9-7(8)4-6(5-15-9)10(12,13)14/h1-5H |
| InChI Key | VNSFCVOSRMUVIX-UHFFFAOYSA-N |
| MDL Number | MFCD28133482 |
| Molecular Formula | C10H5BrF3N |
| Molecular Weight | 276.0526 |
| SMILES | FC(C1=CC2=C(Br)C=CC=C2N=C1)(F)F |
| Synonyms | 5-bromo-3-(trifluoromethyl)quinoline,
1239462-41-9,
Quinoline, 5-bromo-3-(trifluoromethyl)-,
SCHEMBL3718932,
VNSFCVOSRMUVIX-UHFFFAOYSA-N,
MFCD28133482,
ZINC168360628,
AK204507,
AS-32845,
3-(Trifluoromethyl)quinolin-5-amine,
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| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.056g/mol |
| Monoisotopic Mass | 274.956g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number