UCSF

ZINC00156326

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: Ethyl 2-(trifluoromethyl)benzoate Ethyl 2-(trifluoromethyl)benzoate

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CAS Numbers: 31083-13-3 , 577-62-8 , [31083-13-3]

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) 2.99 4.15 -9 0 2 0 26 218.174 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 90-91?/10mm Alfa-Aesar
BP 90-91°/10mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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