UCSF

ZINC14989249

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 12 Yes

Popular Name: 4-Fluoro-3-methoxyphenylacetonitrile 4-Fluoro-3-methoxyphenylacetonit…

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CAS Numbers: 850565-37-6 , [850565-37-6]

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) 2.05 5.03 -11.94 0 2 0 33 165.167 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 158°/10mm Oakwood Chemical
MP 49-50° Oakwood Chemical
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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