UCSF

ZINC16083116

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 11 Yes

Popular Name: 5-Bromo-3(2H)-benzofuranone 5-Bromo-3(2H)-benzofuranone

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CAS Numbers: 3260-78-4 , 54450-20-3 , [54450-20-3]

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) 2.12 4.09 -5.55 0 2 0 26 213.03 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 111 - 113 Enamine Building Blocks
MP 111...113 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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