UCSF

ZINC02170322

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 15 Yes

Popular Name: Ethyl 3-(trifluoromethyl)benzoate Ethyl 3-(trifluoromethyl)benzoate

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CAS Numbers: 76783-59-0 , [76783-59-0]

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) 3.35 4.47 -6.64 0 2 0 26 218.174 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 100-101?/10mm Alfa-Aesar
BP 100-101°/10mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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