5-nitro-1H-indole-7-carboxylic acid

Base Information

• Chemical Name: 5-nitro-1H-indole-7-carboxylic acid
• CAS No.: 1167056-38-3
• Molecular Formula: C9H6N2O4
• Molecular Weight: 206.15494
• DSSTox Substance ID: DTXSID901294089
• Mol file: 1167056-38-3.mol

Synonyms:1167056-38-3;5-nitro-1H-indole-7-carboxylic acid;5-Nitro-7-indole carboxylic acid;1H-Indole-7-carboxylic acid, 5-nitro-;5-Nitro-7-indolecarboxylic acid;DTXSID901294089;SB15253

Chemical Property of 5-nitro-1H-indole-7-carboxylic acid

Chemical Property:

• Boiling Point: 500.4±35.0 °C(Predicted)
• PKA: 3.69±0.10(Predicted)
• Density: 1.632±0.06 g/cm3(Predicted)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 206.03275668
• Heavy Atom Count: 15
• Complexity: 288

Purity/Quality:

95% ^*data from raw suppliers

5-Nitro-7-indoleCarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CNC2=C(C=C(C=C21)[N+](=O)[O-])C(=O)O