5-Nitroisoquinoline 2-oxide

Base Information

• Chemical Name: 5-Nitroisoquinoline 2-oxide
• CAS No.: 57554-78-6
• Molecular Formula: C9H6N2O3
• Molecular Weight: 190.158
• DSSTox Substance ID: DTXSID10496197
• Wikidata: Q82344903
• Mol file: 57554-78-6.mol

Synonyms:57554-78-6;5-nitroisoquinoline 2-oxide;5-Nitroisoquinolin-2-ium-2-olate;5-Nitroisoquinoline-n-oxide;5-nitroisoquinoline-2-oxide;SCHEMBL3939115;DTXSID10496197;WBAQSNZRHXVIOH-UHFFFAOYSA-N;AKOS006279251;5-Nitro-2-oxo-2lambda~5~-isoquinoline;FT-0695935;J-650092

Chemical Property of 5-Nitroisoquinoline 2-oxide

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 190.03784206
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C[N+](=C2)[O-])C(=C1)[N+](=O)[O-]