| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 14 | Yes |
Popular Name: 6-Chloro-4-(trifluoromethyl)nicotinic acid 6-Chloro-4-(trifluoromethyl)nico…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 261635-77-2 , [261635-77-2]
| 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) | 2.12 | 1.57 | -39.66 | 0 | 3 | -1 | 53 | 224.545 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 114 - 116 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 114-116°` | Matrix Scientific |
| MP | 119-121° | Oakwood Chemical |
| Purity | 95% | Matrix Scientific |
| MP | 95-105° | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.