UCSF

ZINC02382129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 14 Yes

Popular Name: 2-Chloro-5-(trifluoromethyl)phenylacetonitrile 2-Chloro-5-(trifluoromethyl)phen…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22902-88-1 , [22902-88-1]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 3.40 4.77 -7.43 0 1 0 23 219.593 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 140-142?/12mm Alfa-Aesar
Boiling_Point 140-142°/12mm Alfa-Aesar
Melting_Point 30-34? Alfa-Aesar
Melting_Point 30-34° Alfa-Aesar
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.