UCSF

ZINC00080767

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 3,4-Dimethoxynitrobenzene 3,4-Dimethoxynitrobenzene

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CAS Numbers: 709-09-1 , [709-09-1]

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) 1.54 4.37 -7.78 0 5 0 64 183.163 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 221-223?/10mm Alfa-Aesar
Boiling_Point 221-223°/10mm Alfa-Aesar
BP 230 / 20 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
MP 95 - 98 Enamine Building Blocks
Melting_Point 95-98? Alfa-Aesar
Melting_Point 95-98° Alfa-Aesar
MP 95...98 Enamine Building Blocks
MP 97 TCI
Purity 98% Fluorochem

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