| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 19 | No |
Popular Name: Methyl 4'-nitro-[1,1'-biphenyl]-4-carboxylate Methyl 4'-nitro-[1,1'-biphenyl]-…
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CAS Numbers: 5730-75-6 , [5730-75-6]
methyl 4'-nitro[1,1'-biphenyl]-4-carboxylate
Methyl 4-(4-nitrophenyl)benzoate
| 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) | 3.86 | 3.39 | -11.11 | 0 | 5 | 0 | 72 | 257.245 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.880000000000000e+002 - 1.900000000000000e+002 | KeyOrganics |
| melting_point | 188 - 190 | KeyOrganics |
| MP | 188-190° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.