| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 10 | Yes |
Popular Name: 4-Bromo-3-fluorobenzonitrile 4-Bromo-3-fluorobenzonitrile
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CAS Numbers: 133059-44-6 , [133059-44-6]
4-Amino-2-methyl-10H-thiene[2,3-b][1,5]benzodiazepine hydrochloride; >
4-Bromo-3-fluorobenzonitrile 97%
| 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) | 2.59 | 5.55 | -4.91 | 0 | 1 | 0 | 24 | 200.01 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 54-58° | Oakwood Chemical |
| MP | 92-93° | Matrix Scientific |
| MP | 92-97° | Oakwood Chemical |
| Purity | 95% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Toxic | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.