| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 2-Chloro-6-fluorophenylacetonitrile 2-Chloro-6-fluorophenylacetonitrile
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CAS Numbers: 75279-55-9 , [75279-55-9]
(2-chloro-6-fluorophenyl)acetonitrile
2-Chloro-6-fluorobenzyl cyanide
2-Chloro-6-fluorophenyl acetonitrile
2-Chloro-6-fluorophenylacetonitrile 98%
| 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) | 2.65 | 3.33 | -6.39 | 0 | 1 | 0 | 24 | 169.586 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 40-43? | Alfa-Aesar |
| Melting_Point | 40-43° | Alfa-Aesar |
| MP | 43 | TCI |
| Boiling_Point | 85?/2mm | Alfa-Aesar |
| Boiling_Point | 85°/2mm | Alfa-Aesar |
| Purity | 97% | APIChem |
| Purity | 98% | Fluorochem |
| Warnings | TOXIC | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.