In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2005 | 13 | Yes |
Popular Name: 2-Fluoro-5-(trifluoromethyl)benzonitrile 2-Fluoro-5-(trifluoromethyl)benz…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4088-84-0 , [4088-84-0]
2-Fluoro-5-(trifluoromethyl)benzonitrile 97%
2-Fluoro-5-(trifluoromethyl)benzonitrile, 97%
2-Fluoro-5-trifluoromethylbenzonitrile
3-Cyano-4-fluorobenzotrifluoride
3-Cyano-4-fluorobenzotrifluoride, 3-Cyano-alpha,alpha,alpha,4-tetrafluorotoluene
alpha,alpha,alpha,6-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 | 5.43 | -6.01 | 0 | 1 | 0 | 24 | 189.111 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Boiling_Point | 185-187? | Alfa-Aesar |
Boiling_Point | 185-187° | Alfa-Aesar |
BP | 186° | Oakwood Chemical |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Matrix Scientific |
Warnings | TOXIC | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.