2,4-Dinitrobenzoyl isocyanate

Base Information

• Chemical Name: 2,4-Dinitrobenzoyl isocyanate
• CAS No.: 103317-57-3
• Molecular Formula: C₈H₃N₃O₆
• Molecular Weight: 237.128
• DSSTox Substance ID: DTXSID20545822
• Mol file: 103317-57-3.mol

Synonyms:2,4-dinitrobenzoyl isocyanate;103317-57-3;SCHEMBL10354339;DTXSID20545822;RRXCOMRSZAQORJ-UHFFFAOYSA-N

Chemical Property of 2,4-Dinitrobenzoyl isocyanate

Chemical Property:

• PSA: 138.14000
• LogP: 2.02540
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 237.00218482
• Heavy Atom Count: 17
• Complexity: 391

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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