UCSF

ZINC00336070

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: 2-Bromo-4,5-diethoxybenzaldehyde 2-Bromo-4,5-diethoxybenzaldehyde

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CAS Numbers: 91335-51-2 , [91335-51-2]

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) 2.86 5.92 -8.65 0 3 0 36 273.126 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 71 - 72 Enamine Building Blocks
MP 71...72 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.