| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 29th, 2005 | 12 | No |
Popular Name: 6-Nitrobenzimidazole 6-Nitrobenzimidazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 27896-84-0 , 51349-86-1 , 7597-18-4 , 89843-47-0 , 94-52-0 , [27896-84-0] , [94-52-0]
1H-Benzimidazole, 5-nitro- (9CI)
1H-Benzimidazole, 6-nitro- (9CI)
5-Nitro-1H-benzo[d]imidazole nitrate
| 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) | 1.36 | 4.85 | -12.03 | 1 | 5 | 0 | 75 | 163.136 | 1 | ↓ |
| Ref Reference (pH 7) | 1.36 | 4.86 | -9.76 | 1 | 5 | 0 | 75 | 163.136 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 203° | Oakwood Chemical |
| Melting_Point | 207-211? | Alfa-Aesar |
| Melting_Point | 207-211° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| PUBCHEM_PATENT_ID | EP0012909A1; EP0842923A1; US4278791; US4950764; US6080743; WO1997008155A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0063962A2; EP0063962B2; EP0070182A1; EP0227358A2; EP0227358B1; EP0238271A2; EP0238271B1; EP0265590A2; EP0265590B1; EP0279381A2; EP0308193A2; EP0426194A1; EP0426194B1; EP0466088A2; EP0466088A3; EP0477436B1; EP0539998B1; EP0540296B1; EP0540990A1; EP054779 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.