UCSF

ZINC02391923

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 11 No

Popular Name: t-Butyl 4-bromobutyrate t-Butyl 4-bromobutyrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110611-91-1 , 110611-91-1/110661-91-1 , 110661-91-1 , [110611-91-1]

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) 2.33 1.91 -5.69 0 2 0 26 223.11 5 ↓

Vendor Notes

Note Type Comments Provided By
Purity 85% Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem

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

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