6-Iodo-1,2,4-triazine-3,5(2H,4H)-dione

Base Information

• Chemical Name: 6-Iodo-1,2,4-triazine-3,5(2H,4H)-dione
• CAS No.: 18802-36-3
• Molecular Formula: C3H2IN3O2
• Molecular Weight: 238.97100
• DSSTox Substance ID: DTXSID20361428
• Wikidata: Q82143766

Synonyms:18802-36-3;6-Iodo-1,2,4-triazine-3,5(2H,4H)-dione;STK637953;5-Jod-6-AzauraciL;C3H2IN3O2;SCHEMBL8536854;DTXSID20361428;6-iodo-1,2,4-triazine-3,5-diol;AKOS005569627;AKOS027326351

Chemical Property of 6-Iodo-1,2,4-triazine-3,5(2H,4H)-dione

Chemical Property:

• PSA: 79.13000
• LogP: -0.11260
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 238.91917
• Heavy Atom Count: 9
• Complexity: 199

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=O)C(=NNC(=O)N1)I

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