| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 16 | No |
Popular Name: 2-Methyl-1-(4-nitrobenzyl)-1H-imidazole 2-Methyl-1-(4-nitrobenzyl)-1H-im…
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CAS Numbers: , 56643-86-8 , [56643-86-8]
1H-imidazole, 2-methyl-1-[(4-nitrophenyl)methyl]-
| 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) | 1.64 | 8.19 | -14.03 | 0 | 5 | 0 | 64 | 217.228 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 8.66 | -42.76 | 1 | 5 | 1 | 65 | 218.236 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
