UCSF

ZINC01681319

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: Phenoxyacetonitrile Phenoxyacetonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3598-14-9 , [3598-14-9]

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) 1.78 4.5 -7.91 0 2 0 33 133.15 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 235-238° Oakwood Chemical
Boiling_Point 76-78?/0.05mm Alfa-Aesar
Boiling_Point 76-78°/0.05mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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