2,3,5-Pyridinetricarboxylic acid, 4-(2-chlorophenyl)-6-methyl-, 3-ethyl 5-methyl ester

Base Information

• Chemical Name: 2,3,5-Pyridinetricarboxylic acid, 4-(2-chlorophenyl)-6-methyl-, 3-ethyl 5-methyl ester
• CAS No.: 113994-44-8
• Molecular Formula: C18H16ClNO6
• UNII: LUP412LU1R
• DSSTox Substance ID: DTXSID90150624
• Wikidata: Q27283194

Synonyms:UNII-LUP412LU1R;LUP412LU1R;2,3,5-Pyridinetricarboxylic acid, 4-(2-chlorophenyl)-6-methyl-, 3-ethyl 5-methyl ester;113994-44-8;DTXSID90150624;Q27283194;3-ethyl 5-methyl ester4-(2-chlorophenyl)-6-methyl-2,3,5-pyridinetricarboxylic acid

Chemical Property of 2,3,5-Pyridinetricarboxylic acid, 4-(2-chlorophenyl)-6-methyl-, 3-ethyl 5-methyl ester

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 377.0666149
• Heavy Atom Count: 26
• Complexity: 542

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=C(N=C1C(=O)O)C)C(=O)OC)C2=CC=CC=C2Cl

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