1-(1-Methyl-4-nitro-1H-pyrrol-2-yl)ethan-1-one

Base Information

• Chemical Name: 1-(1-Methyl-4-nitro-1H-pyrrol-2-yl)ethan-1-one
• CAS No.: 63158-35-0
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.15000
• DSSTox Substance ID: DTXSID00492709
• Wikidata: Q82338837
• Mol file: 63158-35-0.mol

Synonyms:63158-35-0;1-(1-Methyl-4-nitro-1H-pyrrol-2-yl)ethan-1-one;1-(1-Methyl-4-nitro-1H-pyrrol-2-yl)ethanone;SCHEMBL12438322;SCHEMBL14606659;DTXSID00492709;AKOS017515379

Chemical Property of 1-(1-Methyl-4-nitro-1H-pyrrol-2-yl)ethan-1-one

Chemical Property:

• PSA: 67.82000
• LogP: 1.65910
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 211

Purity/Quality:

1-(1-Methyl-4-nitro-1h-pyrrol-2-yl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CN1C)[N+](=O)[O-]