| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 14 | No |
Popular Name: 4-Bromo-5-fluoro-2-nitrobenzoic acid 4-Bromo-5-fluoro-2-nitrobenzoic …
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CAS Numbers: 1020717-99-0 , 355423-16-4 , no cas , [1020717-99-0]
2-nitro-4-bromo-5-fluorobenzoic acid
2-Nitro-4-Bromo-5-FluorobenzoicAcid
4-bromo-5-fluoro-2-nitro benzoic acid
| 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) | 2.82 | 5.79 | -46.66 | 0 | 5 | -1 | 86 | 262.998 | 2 | ↓ |
| Hi High (pH 8-9.5) | 0.87 | 4.27 | -92.9 | 9 | 9 | 2 | 152 | 420.521 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.