5-nitro-4H-1,3-benzodioxine

Base Information

• Chemical Name: 5-nitro-4H-1,3-benzodioxine
• CAS No.: 50603-42-4
• Molecular Formula: C8H7NO4
• Molecular Weight: 181.148
• DSSTox Substance ID: DTXSID70391477
• Nikkaji Number: J833.127H
• Wikidata: Q82188959
• Mol file: 50603-42-4.mol

Synonyms:5-nitro-4H-1,3-benzodioxine;5-nitro-1,3-benzodioxane;50603-42-4;5-nitro4H-1,3-benzodioxine;SCHEMBL4942788;DTXSID70391477;QGHZKXADVJXVFB-UHFFFAOYSA-N

Chemical Property of 5-nitro-4H-1,3-benzodioxine

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C=CC=C2OCO1)[N+](=O)[O-]