UCSF

ZINC00170470

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

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

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CAS Numbers: 338975-95-4 , N/A

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) 2.77 4.39 -11.08 0 2 0 26 232.201 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 68°/0.2mm Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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