| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 15 | Yes |
Popular Name: Methyl 4-(1H-imidazol-1-yl)benzoate Methyl 4-(1H-imidazol-1-yl)benzoate
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CAS Numbers: 101184-08-1 , [101184-08-1]
methyl 4-(1H-imidazol-1-yl)benzenecarboxylate
Methyl4-(1H-imidazol-1-yl)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) | 1.44 | 7.53 | -9.31 | 0 | 4 | 0 | 44 | 202.213 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.44 | 8.04 | -39.27 | 1 | 4 | 1 | 45 | 203.221 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 127 - 129 | KeyOrganics |
| MP | 127-129° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.