| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | Yes |
Popular Name: 4-(2,4-dimethylphenoxy)benzenecarbonitrile 4-(2,4-dimethylphenoxy)benzeneca…
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CAS Number: 449778-70-5
| 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) | 4.27 | 3.91 | -5.54 | 0 | 2 | 0 | 33 | 223.275 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 62 - 64 | KeyOrganics |
| MP | 62-64° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
