UCSF

ZINC02570178

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 2-Bromo-1-(4-methoxy-phenyl)-butan-1-one 2-Bromo-1-(4-methoxy-phenyl)-but…

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CAS Numbers: 881-43-6 , [881-43-6]

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) 3.12 1.24 -4.94 0 2 0 26 257.127 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 49 - 51 Enamine Building Blocks
MP 49...51 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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