| CAS Number | 1258453-75-6 |
| Catalog Number | AG009IDN(AGN-PC-0WNP1P) |
| Chemical Name | ABX-464 |
| IUPAC Name | 8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine |
| InChI | InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22) |
| InChI Key | OZOGDCZJYVSUBR-UHFFFAOYSA-N |
| MDL Number | MFCD31657325 |
| Molecular Formula | C16H10ClF3N2O |
| Molecular Weight | 338.7116 |
| SMILES | FC(F)(F)OC1=CC=C(NC2=NC3=C(Cl)C=CC=C3C=C2)C=C1 |
| UNII | 26RU378B9V |
| Synonyms | ABX464,
ABX464,
1258453-75-6,
ABX-464,
UNII-26RU378B9V,
26RU378B9V,
8-Chloro-N-(4-(trifluoromethoxy)phenyl)quinolin-2-amine,
8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine,
SCHEMBL1705888,
SPL-464,
AKOS032946692,
SB18690,
HY-100870,
CS-0020537,
A16912,
2-Quinolinamine, 8-chloro-N-(4-(trifluoromethoxy)phenyl)-,
OZOGDCZJYVSUBR-UHFFFAOYSA-N,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.714g/mol |
| Monoisotopic Mass | 338.043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 34.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number