UCSF

ZINC02040437

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-Fluoro-3-iodobenzoic acid 4-Fluoro-3-iodobenzoic acid

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CAS Numbers: 403-18-9 , [403-18-9]

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) 3.02 5.24 -42.38 0 2 -1 40 265.001 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 169 - 171 Enamine Building Blocks
MP 169...171 Enamine Building Blocks
Melting_Point 173-175? Alfa-Aesar
MP 176-177° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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