3-Furan-2-yl-acrylic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester

Base Information

• Chemical Name: 3-Furan-2-yl-acrylic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester
• CAS No.: 5630-45-5
• Molecular Formula: C11H14 Cl2 N2 O4
• DSSTox Substance ID: DTXSID30355237
• ChEMBL ID: CHEMBL1565089

Synonyms:3-Furan-2-yl-acrylic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester;5630-45-5;MLS001217370;CHEMBL1565089;DTXSID30355237;HMS2899P15;STK839926;AKOS000523006;SMR000608021;AB00091236-01;Z56770815;2-(3-nitrophenyl)-2-oxoethyl (2E)-3-(furan-2-yl)prop-2-enoate

Chemical Property of 3-Furan-2-yl-acrylic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 301.05863707
• Heavy Atom Count: 22
• Complexity: 455

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)C=CC2=CC=CO2
• Isomeric SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC(=O)/C=C/C2=CC=CO2

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