UCSF

ZINC00105308

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 1-(3-Bromo-4-methoxyphenyl)ethanone 1-(3-Bromo-4-methoxyphenyl)ethanone

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CAS Numbers: 35310-75-9 , [35310-75-9]

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) 2.63 1.05 -9.25 0 2 0 26 229.073 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 72 - 74 Enamine Building Blocks
MP 82 - 84 Enamine Building Blocks
MP 82...84 Enamine Building Blocks
MP 84-86° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem

Activity (Go SEA)

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