In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 13 | Yes |
Popular Name: 3-Fluoro-4-(trifluoromethyl)benzonitrile 3-Fluoro-4-(trifluoromethyl)benz…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 231953-38-1 , [231953-38-1]
3-Fluoro-4-(trifluoromethyl)benzonitrile 97%
3-Fluoro-4-(trifluoromethyl)benzonitrile, 97%
3-Fluoro-4-trifluoromethylbenzonitrile
4-Cyano-2-fluorobenzotrifluoride
alpha,alpha,alpha,3-Tetrafluoro-p-tolunitrile
Benzonitrile, 3-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 | 5.42 | -5.87 | 0 | 1 | 0 | 24 | 189.111 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Melting_Point | 45-48? | Alfa-Aesar |
Melting_Point | 45-48° | Alfa-Aesar |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Matrix Scientific |
Warnings | IRRITANT, TOXIC | Matrix Scientific |
Warnings | Toxic/Irritant | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.