UCSF

ZINC00167112

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 4-(Trifluoromethoxy)benzonitrile 4-(Trifluoromethoxy)benzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 332-25-2 , 55666-43-8 , [332-25-2]

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) 2.66 4.12 -4.63 0 2 0 33 187.12 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 192-193° Matrix Scientific
BP 193 TCI
Boiling_Point 195-196? Alfa-Aesar
Boiling_Point 195-196° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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