| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 18 | No |
Popular Name: 2,6-ditert-butyl-4-nitrophenol 2,6-ditert-butyl-4-nitrophenol
Find On: PubMed — Wikipedia — Google
CAS Number: 728-40-5
(diaminomethylidene)azanium; 2,6-di-tert-butyl-4-nitrocyclohexa-2,5-dien-1-one
2,6-di(tert-butyl)-4-nitrobenzenol
2,6-di-tert-butyl-4-nitrophenol
diaminomethaniminium [3,5-di(tert-butyl)-4-oxo-2,5-cyclohexadienyliden](hydroxy)-lambda~5~-azanolate
| 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) | 4.95 | 7.92 | -5.73 | 1 | 4 | 0 | 66 | 251.326 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.95 | 5.38 | -49.33 | 1 | 4 | -1 | 66 | 251.326 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 149 - 152 | KeyOrganics |
| melting_point | 200 - 202 | KeyOrganics |
