In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 6th, 2007 | 15 | Yes |
Popular Name: 2-(trifluoromethyl)quinolin-4(1H)-one 2-(trifluoromethyl)quinolin-4(1H…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1701-18-4 , 83842-55-1 , [1701-18-4] , [83842-55-1]
(2-Trifluoromethyl)-4(1h)-quinolone
2-(Trifluoromethyl)-4-quinolinol
2-(trifluoromethyl)quinolin-4-ol
4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE
4-Hydroxy-2-(trifluoromethyl)quinoline 95+%
4-Hydroxy-2-trifluoromethyl quinoline
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.31 | 3.91 | -39.27 | 0 | 2 | -1 | 36 | 212.15 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 5.23 | -9.34 | 1 | 2 | 0 | 33 | 213.158 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 198-203° | Matrix Scientific |
mp | 206 - 208 | MolMall (formerly Molecular Diversity Preservation International) |
Purity | 95% | Matrix Scientific |
Purity | 97% | Fluorochem |
PUBCHEM_PATENT_ID | EP0412848A2; EP0412848B1; US5198439; US5444071 | IBM Patent Data |
Warnings | IRRITANT | Matrix Scientific |