UCSF

ZINC00404024

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 4-Chloro-2-fluoroiodobenzene 4-Chloro-2-fluoroiodobenzene

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CAS Numbers: 6797-79-1 , [6797-79-1]

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) 3.79 6.15 -1.96 0 0 0 0 256.445 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 107°/18mm Matrix Scientific
MP 17-19° Matrix Scientific
Boiling_Point 217? Alfa-Aesar
BP 217° Oakwood Chemical
Purity 99% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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