| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 18th, 2009 | 15 | No |
Popular Name: Methyl 2,4-dihydroxy-5-nitrobenzoate Methyl 2,4-dihydroxy-5-nitrobenz…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 271261-71-3 , [271261-71-3]
Benzoic acid, 2,4-dihydroxy-5-nitro-, methyl ester (9CI)
| 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) | 1.77 | 2.97 | -37.5 | 1 | 7 | -1 | 115 | 212.137 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 3.98 | -106.99 | 0 | 7 | -2 | 118 | 211.129 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 1.97 | -9.74 | 2 | 7 | 0 | 113 | 213.145 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 2.98 | -38.14 | 1 | 7 | -1 | 115 | 212.137 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
