N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide

Base Information

• Chemical Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
• CAS No.: 58276-89-4
• Molecular Formula: C15H11 N3 O5
• Molecular Weight: 313.2649
• NSC Number: 253545
• DSSTox Substance ID: DTXSID60425912

Synonyms:NSC253545;58276-89-4;SCHEMBL4446058;SCHEMBL4446070;DTXSID60425912;AKOS000666477;NSC-253545

Chemical Property of N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.46g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 313.06987046
• Heavy Atom Count: 23
• Complexity: 472

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]
• Isomeric SMILES: C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

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