UCSF

ZINC02243114

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 11 Yes

Popular Name: 2-Fluoro-4-iodobenzoic acid 2-Fluoro-4-iodobenzoic acid

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CAS Numbers: 124700-40-9 , [124700-40-9]

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) 2.68 0.59 -46.63 0 2 -1 40 265.001 1 ↓
Hi High (pH 8-9.5) 2.05 3.1 -2.14 1 1 0 12 165.176 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 214-217° 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.