UCSF

ZINC00162661

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Substance Information

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

Popular Name: Ethyl 4-(trifluoromethyl)benzoate Ethyl 4-(trifluoromethyl)benzoate

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CAS Numbers: 31083-14-4 , 583-02-8

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) 3.38 4.47 -4.65 0 2 0 26 218.174 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 78-80?/5mm Alfa-Aesar
Boiling_Point 78-80°/5mm Alfa-Aesar
BP 81°/5mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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