4-nitro-1H-indole-3-carboxylic acid

Base Information

• Chemical Name: 4-nitro-1H-indole-3-carboxylic acid
• CAS No.: 123604-27-3
• Molecular Formula: C9H6 N2 O4
• Molecular Weight: 206.15
• DSSTox Substance ID: DTXSID60561521
• Wikidata: Q82445368
• Mol file: 123604-27-3.mol

Synonyms:4-nitro-1H-indole-3-carboxylic acid;123604-27-3;4-NITROINDOLE-3-CARBOXYLIC ACID;1H-Indole-3-carboxylic acid, 4-nitro-;SCHEMBL20120121;DTXSID60561521;4-nitro-1H-indole-3-carboxylicacid;AKOS005362551;CS-0308467;EN300-121247;G43128;Z1217187857

Chemical Property of 4-nitro-1H-indole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.13E-11mmHg at 25°C
• Refractive Index: 1.761
• Boiling Point: 520.8°Cat760mmHg
• Flash Point: 268.8°C
• PSA: 98.91000
• Density: 1.632g/cm³
• LogP: 2.29750
• 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:

99% ^*data from raw suppliers

4-Nitro-1H-indole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)C(=O)O

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