Dimethyl-3-nitrobiphenyl-4-malonate

Base Information

• Chemical Name: Dimethyl-3-nitrobiphenyl-4-malonate
• CAS No.: 100487-83-0
• Molecular Formula: C₁₇H₁₅NO₆
• Molecular Weight: 329.309
• DSSTox Substance ID: DTXSID501197156

Synonyms:SCHEMBL4408556;FSADKQTZVABRCO-UHFFFAOYSA-N;DTXSID501197156;dimethyl-3-nitrobiphenyl-4-malonate;1,3-Dimethyl 2-(3-nitro[1,1'-biphenyl]-4-yl)propanedioate;100487-83-0

Chemical Property of Dimethyl-3-nitrobiphenyl-4-malonate

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 329.08993720
• Heavy Atom Count: 24
• Complexity: 452

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Useful:

• Canonical SMILES: COC(=O)C(C1=C(C=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-])C(=O)OC

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