N-(5-Methyl-1-(2-nitrobenzoyl)-2,1-benzisothiazol-3(1H)-ylidene)-2-nitrobenzamide

Base Information

• Chemical Name: N-(5-Methyl-1-(2-nitrobenzoyl)-2,1-benzisothiazol-3(1H)-ylidene)-2-nitrobenzamide
• CAS No.: 99523-83-8
• Molecular Formula: C22H14 N4 O6 S
• Molecular Weight: 462.43
• Nikkaji Number: J359.587K

Synonyms:CCRIS 5003;99523-83-8;N-(5-Methyl-1-(2-nitrobenzoyl)-2,1-benzisothiazol-3(1H)-ylidene)-2-nitrobenzamide;N-[5-METHYL-1-(2-NITROBENZOYL)-2,1-BENZISOTHIAZOL-3(1H)-YLIDENE]-2-NITROBENZAMIDE

Chemical Property of N-(5-Methyl-1-(2-nitrobenzoyl)-2,1-benzisothiazol-3(1H)-ylidene)-2-nitrobenzamide

Chemical Property:

• Melting Point: 253 °C(Solv: acetic acid (64-19-7))
• Boiling Point: 702.8±70.0 °C(Predicted)
• PSA: 171.31000
• Density: 1.50±0.1 g/cm3(Predicted)
• LogP: 5.30360
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 462.06340535
• Heavy Atom Count: 33
• Complexity: 840

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N(SC2=NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=CC=C4[N+](=O)[O-]

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