UCSF

ZINC01871905

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 11 No

Popular Name: 3-bromo-4,5-dihydroxybenzaldehyde 3-bromo-4,5-dihydroxybenzaldehyde

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CAS Numbers: 16414-34-9 , [16414-34-9]

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) 1.73 -0.02 -9.2 2 3 0 58 217.018 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 219 - 221 Enamine Building Blocks
MP 219...221 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.