UCSF

ZINC00403995

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 4-Iodophenetole 4-Iodophenetole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 699-08-1 , 8/1/699 , 91912-54-8 , [699-08-1]

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) 3.45 0.4 -2.39 0 1 0 9 248.063 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 133-134?/19mm Alfa-Aesar
Boiling_Point 133-134°/19mm Alfa-Aesar
Melting_Point 26-29? Alfa-Aesar
Melting_Point 26-29° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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