4-[(E)-2-[2-(4-Chlorophenyl)-2H-tetrazol-5-yl]ethenyl]pyridazine-3,6-dicarboxylic acid dimethyl ester

Base Information

• Chemical Name: 4-[(E)-2-[2-(4-Chlorophenyl)-2H-tetrazol-5-yl]ethenyl]pyridazine-3,6-dicarboxylic acid dimethyl ester
• CAS No.: 166756-84-9
• Molecular Formula: C17H13ClN6O4
• DSSTox Substance ID: DTXSID301116930
• Nikkaji Number: J686.513E
• Mol file: 166756-84-9.mol

Synonyms:DTXSID301116930;166756-84-9;3,6-Dimethyl 4-[(1E)-2-[2-(4-chlorophenyl)-2H-tetrazol-5-yl]ethenyl]-3,6-pyridazinedicarboxylate;4-[(E)-2-[2-(4-Chlorophenyl)-2H-tetrazol-5-yl]ethenyl]pyridazine-3,6-dicarboxylic acid dimethyl ester

Chemical Property of 4-[(E)-2-[2-(4-Chlorophenyl)-2H-tetrazol-5-yl]ethenyl]pyridazine-3,6-dicarboxylic acid dimethyl ester

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 400.0686806
• Heavy Atom Count: 28
• Complexity: 586

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=NN=C(C(=C1)C=CC2=NN(N=N2)C3=CC=C(C=C3)Cl)C(=O)OC
• Isomeric SMILES: COC(=O)C1=NN=C(C(=C1)/C=C/C2=NN(N=N2)C3=CC=C(C=C3)Cl)C(=O)OC

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