1-(Chloro{[(4-nitrophenyl)methyl]sulfanyl}methyl)-4-nitrobenzene

Base Information

• Chemical Name: 1-(Chloro{[(4-nitrophenyl)methyl]sulfanyl}methyl)-4-nitrobenzene
• CAS No.: 62740-56-1
• Molecular Formula: C₁₄H₁₁ClN₂O₄S
• Molecular Weight: 338.771
• DSSTox Substance ID: DTXSID80539303

Synonyms:62740-56-1;DTXSID80539303;1-(Chloro{[(4-nitrophenyl)methyl]sulfanyl}methyl)-4-nitrobenzene

Chemical Property of 1-(Chloro{[(4-nitrophenyl)methyl]sulfanyl}methyl)-4-nitrobenzene

Chemical Property:

• Boiling Point: 501.1±50.0 °C(Predicted)
• PSA: 116.94000
• Density: 1.455±0.06 g/cm3(Predicted)
• LogP: 5.72020
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 338.0128057
• Heavy Atom Count: 22
• Complexity: 385

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSC(C2=CC=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

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