methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate

Base Information

• Chemical Name: methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate
• CAS No.: 5903-71-9
• Molecular Formula: C22H21ClN2O6
• Molecular Weight: 444.8649
• DSSTox Substance ID: DTXSID50366986
• Wikidata: Q82152520

Synonyms:STK186495;5903-71-9;methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate;DTXSID50366986;AKOS000327505;SR-01000222925;SR-01000222925-1

Chemical Property of methyl (2-chloro-4-{(1Z)-2-cyano-3-[(3-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)acetate

Chemical Property:

• Vapor Pressure: 1.45E-16mmHg at 25°C
• Boiling Point: 645.8°Cat760mmHg
• Flash Point: 344.4°C
• Density: 1.316g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 444.1088141
• Heavy Atom Count: 31
• Complexity: 691

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC(=O)OC)OC)C#N
• Isomeric SMILES: CCOC1=CC=CC(=C1)NC(=O)/C(=C\C2=CC(=C(C(=C2)Cl)OCC(=O)OC)OC)/C#N

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