In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2004 | 13 | Yes |
Popular Name: 3-Fluoro-5-(trifluoromethyl)benzonitrile 3-Fluoro-5-(trifluoromethyl)benz…
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CAS Numbers: 149793-69-1 , [149793-69-1]
3-Cyano-5-fluorobenzotrifluoride
3-Cyano-5-fluorobenzotrifluoride, alpha,alpha,alpha,5-Tetrafluoro-m-tolunitrile
3-Fluoro-5(trifluoromethyl)benzonitrile
3-Fluoro-5-(trifluoromethyl)benzonitrile 97%
3-Fluoro-5-(trifluoromethyl)benzonitrile, 97%
3-Fluoro-5-trifluoromethyl benzonitrile
3-Fluoro-5-trifluoromethylbenzonitrile
alpha,alpha,alpha,5-Tetrafluoro-m-tolunitrile
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 | 5.49 | -4.23 | 0 | 1 | 0 | 24 | 189.111 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 97% | Matrix Scientific |
Warnings | TOXIC | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.