1-[4-(Ethylsulphonyl)-2-nitrophenyl]azepane

Base Information

• Chemical Name: 1-[4-(Ethylsulphonyl)-2-nitrophenyl]azepane
• CAS No.: 942474-69-3
• Molecular Formula: C14H20N2O4S
• Molecular Weight: 312.39
• Mol file: 942474-69-3.mol

Synonyms:942474-69-3;1-[4-(ethylsulphonyl)-2-nitrophenyl]azepane;1-(4-(Ethylsulfonyl)-2-nitrophenyl)azepane;1-(4-ethylsulfonyl-2-nitrophenyl)azepane;1-[4-(ethylsulfonyl)-2-nitrophenyl]-hexamethyleneimine;1-[4-(ethanesulfonyl)-2-nitrophenyl]azepane;1-[4-(Ethylsulfonyl)-2-nitrophenyl]hexamethyleneimine;MFCD08704868

Chemical Property of 1-[4-(Ethylsulphonyl)-2-nitrophenyl]azepane

Chemical Property:

• PKA: -0.08±0.40(Predicted)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 312.11437830
• Heavy Atom Count: 21
• Complexity: 447

Purity/Quality:

98%min ^*data from raw suppliers

1-[4-(Ethylsulfonyl)-2-nitrophenyl]-hexamethyleneimine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CCS(=O)(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]