| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | Yes |
Popular Name: 2-Fluoro-4-(trifluoromethyl)benzonitrile 2-Fluoro-4-(trifluoromethyl)benz…
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CAS Numbers: 146070-34- , 146070-34-0 , [146070-34-0]
"2-Fluoro-4-(trifluoromethyl)benzonitrile, 98%"
2-Fluoro-4-(trifluoromethyl)benzonitrile 97%
2-Fluoro-4-(trifluoromethyl)benzonitrile, 98%
3-Fluoro-4-cyano-benzotrifluoride
4-Cyano-3-fluorobenzotrifluoride
alpha,alpha,alpha,2-Tetrafluoro-p-tolunitrile
Benzonitrile, 2-fluoro-4-(trifluoromethyl)-
| 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) | 2.68 | 5.43 | -5.86 | 0 | 1 | 0 | 24 | 189.111 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 178-180? | Alfa-Aesar |
| Boiling_Point | 178-180° | Alfa-Aesar |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT, TOXIC | Matrix Scientific |
| Warnings | Toxic/Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.