| CAS Number | 874880-25-8 |
| Catalog Number | AG00IEN2 |
| Chemical Name | 4-Amino-6-trifluoromethoxyquinoline |
| IUPAC Name | 6-(trifluoromethoxy)quinolin-4-amine |
| InChI | InChI=1S/C10H7F3N2O/c11-10(12,13)16-6-1-2-9-7(5-6)8(14)3-4-15-9/h1-5H,(H2,14,15) |
| InChI Key | KDFPUZKVCMQYIU-UHFFFAOYSA-N |
| MDL Number | MFCD08059369 |
| Molecular Formula | C10H7F3N2O |
| Molecular Weight | 228.1706 |
| SMILES | Nc1ccnc2c1cc(cc2)OC(F)(F)F |
| Synonyms | 4-Amino-6-trifluoromethoxyquinoline,
874880-25-8,
6-(trifluoromethoxy)quinolin-4-amine,
SCHEMBL4271192,
DTXSID80591981,
KDFPUZKVCMQYIU-UHFFFAOYSA-N,
MFCD08059369,
ZINC36075558,
6-trifluoromethoxy-quinolin-4-ylamine,
AKOS011473019,
PC404578,
BC4364324,
T6699,
4-Amino-6-trifluoromethoxyquinoline, AldrichCPR,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.174g/mol |
| Monoisotopic Mass | 228.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number