UCSF

ZINC01847538

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Substance Information

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

Popular Name: Ethyl 4,4-difluoroacetoacetate Ethyl 4,4-difluoroacetoacetate

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CAS Numbers: 2266-48-0 , 352-24-9 , [352-24-9]

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) 0.25 4.94 -11.66 0 3 0 43 166.123 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 162° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks
Purity 90% Fluorochem
Purity 90+% Fluorochem
purity 95 Enamine Building Blocks
Purity 95% Matrix Scientific
Warnings Flammable/Irritant Matrix Scientific
Warnings IRRITANT, FLAMMABLE Matrix Scientific

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

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