| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2007 | 16 | No |
Popular Name: 2-(4-Trifluoromethoxyphenyl)malondialdehyde 2-(4-Trifluoromethoxyphenyl)malo…
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CAS Numbers: 493036-48-9 , [493036-48-9]
2-(4-Trifluoromethoxyphenyl)malonaldehyde
2-[4-(Trifluoromethoxy)phenyl]malonaldehyde
| 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) | 1.98 | 4.35 | -30.98 | 0 | 3 | -1 | 49 | 231.149 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.99 | 3.4 | -17.62 | 0 | 3 | 0 | 43 | 232.157 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 96-98° | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.