UCSF

ZINC02168348

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 16 Yes

Popular Name: Ethyl pentafluorobenzoate Ethyl pentafluorobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4522-93-4 , [4522-93-4]

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) 2.68 5.83 -3.19 0 2 0 26 240.127 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 112-114? Alfa-Aesar
Boiling_Point 112-114° Alfa-Aesar
BP 113° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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