| CAS Number | 1246549-93-8 |
| Catalog Number | AG000MJE(AGN-PC-0WCXT3) |
| Chemical Name | Quinoline, 7-bromo-3-(trifluoromethyl)- |
| IUPAC Name | 7-bromo-3-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C10H5BrF3N/c11-8-2-1-6-3-7(10(12,13)14)5-15-9(6)4-8/h1-5H |
| InChI Key | ICGBGNJCQUURAB-UHFFFAOYSA-N |
| MDL Number | MFCD18254053 |
| Molecular Formula | C10H5BrF3N |
| Molecular Weight | 276.0526 |
| SMILES | FC(C1=CC2=CC=C(Br)C=C2N=C1)(F)F |
| Synonyms | 7-bromo-3-(trifluoromethyl)quinoline,
1246549-93-8,
SCHEMBL18571660,
MFCD18254053,
AKOS025396518,
ZINC238513463,
AK174515,
AS-32843,
Quinoline, 7-bromo-3-(trifluoromethyl)-,
|
| 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