UCSF

ZINC01384540

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 20 No

Popular Name: 4-{[3-(Trifluoromethyl)benzyl]oxy}benzaldehyde 4-{[3-(Trifluoromethyl)benzyl]ox…

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CAS Numbers: 70627-18-8 , [70627-18-8]

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) 4.25 3.98 -10.14 0 2 0 26 280.245 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 48 - 50 KeyOrganics
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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