UCSF

ZINC00153852

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: Methyl 2-trifluoromethylbenzoylacetate Methyl 2-trifluoromethylbenzoyla…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 212755-77-6 , [212755-77-6]

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) 2.13 4.86 -18.13 0 3 0 43 246.184 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 98% Fluorochem
BP 98-105°/0.38mm Oakwood Chemical
BP 98-105°/0.5mb Fluorochem
BP 98-105°/0.5mm Matrix Scientific
Warnings Irritant Matrix Scientific

Activity (Go SEA)

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