UCSF

ZINC00164678

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 3'-(Trifluoromethoxy)acetophenone 3'-(Trifluoromethoxy)acetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 170141-63-6 , [170141-63-6]

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) 2.78 3.22 -7.51 0 2 0 26 204.147 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 49-51?/13mm Alfa-Aesar
BP 49-51°/13mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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