UCSF

ZINC00162080

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Popular Name: 2-fluoro-6-(4-methylphenoxy)benzonitrile 2-fluoro-6-(4-methylphenoxy)benz…

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CAS Numbers: 175204-08-7 , [175204-08-7]

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) 3.96 4.27 -9.17 0 2 0 33 227.238 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 93-95° Matrix Scientific
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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