1,4,5,6,7,11,16,17,18,19,19,20,20-Tridecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene

Base Information

• Chemical Name: 1,4,5,6,7,11,16,17,18,19,19,20,20-Tridecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene
• CAS No.: 67102-97-0
• Molecular Formula: C20H6Cl13NO2
• Molecular Weight: 753.1
• NSC Number: 270725
• DSSTox Substance ID: DTXSID60330537

Synonyms:NSC270725;67102-97-0;DTXSID60330537;AKOS024430561;NSC-270725

Chemical Property of 1,4,5,6,7,11,16,17,18,19,19,20,20-Tridecachloro-12-nitrohexacyclo[14.2.1.14,7.02,15.03,8.09,14]icosa-5,9,11,13,17-pentaene

Chemical Property:

• Vapor Pressure: 3.89E-16mmHg at 25°C
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 752.626088
• Heavy Atom Count: 36
• Complexity: 1180

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1=C2C3C(C4C(C2=CC(=C1[N+](=O)[O-])Cl)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl

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