UCSF

ZINC00169525

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 4-[3-(Trifluoromethyl)phenoxy]benzonitrile 4-[3-(Trifluoromethyl)phenoxy]be…

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CAS Numbers: 453557-46-5 , 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) 4.32 5.4 -6.77 0 2 0 33 263.218 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 59 - 61 KeyOrganics
MP 59-61° Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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