UCSF

ZINC00157004

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 2-Iodophenylacetonitrile 2-Iodophenylacetonitrile

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CAS Numbers: 40400-15-5 , [40400-15-5]

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) 2.94 1.95 -6.57 0 1 0 24 243.047 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 139-140?/13mm Alfa-Aesar
Boiling_Point 139-140°/13mm Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.