| CAS Number | 927800-87-1 |
| Catalog Number | AG00H0D8(AGN-PC-0WR1QF) |
| Chemical Name | 4-Hydroxy-2-propyl-6-trifluoromethylquinoline |
| IUPAC Name | 2-propyl-6-(trifluoromethyl)-1H-quinolin-4-one |
| InChI | InChI=1S/C13H12F3NO/c1-2-3-9-7-12(18)10-6-8(13(14,15)16)4-5-11(10)17-9/h4-7H,2-3H2,1H3,(H,17,18) |
| InChI Key | KNKABTRIBATKEM-UHFFFAOYSA-N |
| MDL Number | MFCD02684130 |
| Molecular Formula | C13H12F3NO |
| Molecular Weight | 255.2357 |
| SMILES | CCCc1cc(O)c2c(n1)ccc(c2)C(F)(F)F |
| Synonyms | 4-Hydroxy-2-propyl-6-trifluoromethylquinoline,
927800-87-1,
2-PROPYL-6-TRIFLUOROMETHYLQUINOLINE-4-OL,
DTXSID90590622,
MFCD02684130,
ZINC19721678,
AKOS027313828,
2-Propyl-6-trifluoromethyl-4-quinolinol,
PC407024,
T6766,
UX00004230,
2-Propyl-6-(trifluoromethyl)quinolin-4(1H)-one,
4-Hydroxy-2-propyl-6-trifluoromethylquinoline, AldrichCPR,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.24g/mol |
| Monoisotopic Mass | 255.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number