UCSF

ZINC00056523

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: methyl 4,5-dimethoxy-2-nitrobenzoate methyl 4,5-dimethoxy-2-nitrobenz…

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CAS Numbers: 26791-93-5 , [26791-93-5]

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) 1.82 5.37 -11.76 0 7 0 91 241.199 5 ↓

Vendor Notes

Note Type Comments Provided By
M.P 141-144 °C Indofine
Melting_Point 142-144? Alfa-Aesar
Melting_Point 142-144° Alfa-Aesar
Purity 95% Fluorochem
Purity 97% APIChem

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