UCSF

ZINC01558550

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 13 No

Popular Name: 5-Methoxy-2-nitrobenzonitrile 5-Methoxy-2-nitrobenzonitrile

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CAS Numbers: 38469-84-0 , [38469-84-0]

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) 1.64 4.6 -11.98 0 5 0 79 178.147 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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