In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 19 | No |
Popular Name: Methyl 3'-nitro-[1,1'-biphenyl]-4-carboxylate Methyl 3'-nitro-[1,1'-biphenyl]-…
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CAS Numbers: 89900-93-6 , [89900-93-6]
methyl 3'-nitro[1,1'-biphenyl]-4-carboxylate
Methyl 4-(3-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) | 3.84 | 3.39 | -11.25 | 0 | 5 | 0 | 72 | 257.245 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 1.440000000000000e+002 - 1.460000000000000e+002 | KeyOrganics |
mp | 143 | MolMall (formerly Molecular Diversity Preservation International) |
melting_point | 144 - 146 | KeyOrganics |
MP | 144-146° | Matrix Scientific |
Purity | 95% | Fluorochem |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |