UCSF

ZINC00566580

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 No

Popular Name: 5-Nitrobenzo[d][1,3]dioxole 5-Nitrobenzo[d][1,3]dioxole

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CAS Numbers: 2620-44-2 , 2640-44-4 , [2620-44-2] , [599-67-7]

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) 1.79 3.82 -6.76 0 5 0 64 167.12 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 142-149? Alfa-Aesar
Melting_Point 142-149° Alfa-Aesar
MP 148 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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