UCSF

ZINC00366928

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: methyl 4-(4-bromophenyl)-4-oxobutanoate methyl 4-(4-bromophenyl)-4-oxobu…

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CAS Numbers: 30913-86-1 , [30913-86-1]

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) 2.36 1.93 -6.35 0 3 0 43 271.11 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 50-52° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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