| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2008 | 14 | No |
Popular Name: 4,6-Dinitro-o-cresol 4,6-Dinitro-o-cresol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2312-76-7 , 534-52-1 , [534-52-1]
2,4-Dinitro-6-methylphenol; 4,6-Dinitro-o-cresol; 534-52-1; C18653; DNOC
3,5-dinitro-2-hydroxytoluene; 4,6-dinitro-o-cresol; 6-methyl-2,4-dinitrophenol; Antinonnin; DNOC
| 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) | 1.94 | 5.66 | -32.02 | 0 | 7 | -1 | 115 | 197.126 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.94 | 4.68 | -9.01 | 1 | 7 | 0 | 112 | 198.134 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 82 - 84 | Enamine Building Blocks |
| MP | 82...84 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Patent Database Links | EP1736466 | ChEBI |
