UCSF

ZINC02169314

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 14 Yes

Popular Name: 2-[3-(trifluoromethyl)phenoxy]acetonitrile 2-[3-(trifluoromethyl)phenoxy]ac…

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CAS Numbers: 2145-31-5 , [2145-31-5]

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) 2.65 4.49 -10.61 0 2 0 33 201.147 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 82-84?/0.5mm Alfa-Aesar
Boiling_Point 82-84°/0.5mm Alfa-Aesar
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

Activity (Go SEA)

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