UCSF

ZINC40448376

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 11 No

Popular Name: 3-Chloro-2-methoxybenzaldehyde 3-Chloro-2-methoxybenzaldehyde

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CAS Numbers: 223778-54-9 , [223778-54-9]

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) 2.37 4.26 -5.28 0 2 0 26 170.595 2 ↓

Vendor Notes

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