UCSF

ZINC02575928

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

Popular Name: Ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate Ethyl 3-(3,4-dichlorophenyl)-3-o…

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CAS Numbers: 53090-43-0 , [53090-43-0]

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) 2.94 2.7 -14.53 0 3 0 43 261.104 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

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Rings

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

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