UCSF

ZINC01726711

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 No

Popular Name: 4-(Trifluoroacetyl)toluene 4-(Trifluoroacetyl)toluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 394-59-2 , [394-59-2]

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) 2.83 3.72 -3.7 0 1 0 17 188.148 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 5° Oakwood Chemical
Boiling_Point 70-72?/15mm Alfa-Aesar
Boiling_Point 70-72°/15mm Alfa-Aesar
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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