UCSF

ZINC21994066

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 11 Yes

Popular Name: 4-Bromo-2-benzofuran-1[3H]-one 4-Bromo-2-benzofuran-1[3H]-one

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CAS Numbers: 102308-43-0 , [102308-43-0]

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) 2.31 5.48 -7.4 0 2 0 26 213.03 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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