UCSF

ZINC00161472

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Substance Information

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

Popular Name: Methyl 2-Bromo-4,5-dimethoxybenzoate Methyl 2-Bromo-4,5-dimethoxybenz…

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CAS Numbers: 17667-32-2 , [17667-32-2]

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) 2.15 1.96 -7.27 0 4 0 44 275.098 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 80-82° Oakwood Chemical
Purity 95% Fluorochem
Purity 97% Fluorochem

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