| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 14 | No |
Popular Name: 5-bromo-2-methyl-3-nitrobenzoic acid 5-bromo-2-methyl-3-nitrobenzoic …
Find On: PubMed — Wikipedia — Google
CAS Numbers: 107650-20-4 , [107650-20-4]
| 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) | 2.58 | 5.75 | -38.11 | 0 | 5 | -1 | 86 | 259.035 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 9.37 | -16.41 | 0 | 7 | 0 | 72 | 373.464 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 180 - 182 | Enamine Building Blocks |
| MP | 180...182 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
