UCSF

ZINC02548331

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: Methyl 4-hydroxy-3-iodobenzoate Methyl 4-hydroxy-3-iodobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15126-06-4 , [15126-06-4]

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) 2.90 3.45 -6.82 1 3 0 47 278.045 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 156-158° Oakwood Chemical
Purity 95% Fluorochem
Purity 95+% 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.