| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 12 | Yes |
Popular Name: 2,4,6-Trifluorobenzoic acid 2,4,6-Trifluorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 28314-80-9 , [28314-80-9]
"2,4,6-Trifluorobenzoic acid, 98%"
2,4,6-Trifluorobenzoic acid 98%
2,4,6-Trifluorobenzoic Acid [28314-80-9]
| 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) | 1.86 | 4.32 | -49.01 | 0 | 2 | -1 | 40 | 175.085 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 140-142? | Alfa-Aesar |
| Melting_Point | 140-142° | Alfa-Aesar |
| mp | 141 - 142 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 143-145° | Matrix Scientific |
| MP | 144 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.