| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 11 | Yes |
Popular Name: 3-Chloro-5-fluorophenylacetonitrile 3-Chloro-5-fluorophenylacetonitrile
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CAS Numbers: 493038-93-0 , [493038-93-0]
2-(3-Chloro-5-fluorophenyl)acetonitrile
3-Chloro-5-fluorobenzyl cyanide
3-Chloro-5-fluorophenyl acetonitrile
| 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) | 2.67 | 3.35 | -8.71 | 0 | 1 | 0 | 24 | 169.586 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 98% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.