UCSF

ZINC02575161

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

Popular Name: 2-Chloro-3,4-dimethoxybenzaldehyde 2-Chloro-3,4-dimethoxybenzaldehyde

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CAS Numbers: 5417-17-4 , [5417-17-4]

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) 2.18 2.02 -6.22 0 3 0 36 200.621 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 70-72? Alfa-Aesar
Melting_Point 70-72° Alfa-Aesar
MP 71 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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Rings

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

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