2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid

Base Information

• Chemical Name: 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid
• CAS No.: 5564-63-6
• Molecular Formula: C17H16N2O7S
• Molecular Weight: 392.3831
• DSSTox Substance ID: DTXSID30367254
• Wikidata: Q82152986

Synonyms:2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid;5564-63-6;Oprea1_558625;DTXSID30367254;MFCD00731754;STL574385;AKOS001613823;2-(2-Carboxy-3-nitro-benzoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethy

Chemical Property of 2-{[3-(Ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-6-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 1.83E-11mmHg at 25°C
• Boiling Point: 515.8°Cat760mmHg
• Flash Point: 265.7°C
• Density: 1.458g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 392.06782203
• Heavy Atom Count: 27
• Complexity: 609

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

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