UCSF

ZINC00339012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 2-Iodo-4-nitroanisole 2-Iodo-4-nitroanisole

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CAS Numbers: 5399-03-1 , [5399-03-1]

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) 2.96 1 -6.61 0 4 0 55 279.033 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 94° Matrix Scientific
MP 96-98° Matrix Scientific
Purity 98% Fluorochem
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.