UCSF

ZINC02243278

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 16 Yes

Popular Name: Ethyl 3-(trifluoromethyl)phenylacetate Ethyl 3-(trifluoromethyl)phenyla…

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CAS Numbers: 331-33-9 , 331-34-0

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) 3.23 4.67 -7.27 0 2 0 26 232.201 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
BP 98-100°/10mm Oakwood Chemical
Purity 99% Fluorochem

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