N-[(E)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide

Base Information

• Chemical Name: N-[(E)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
• CAS No.: 6086-19-7
• Molecular Formula: C12H12 N5 . Br
• Molecular Weight: 464.2899
• DSSTox Substance ID: DTXSID70417469
• Mol file: 6086-19-7.mol

Synonyms:6086-19-7;N-[(E)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide;AC1NT7TE;DTXSID70417469;BIM-0044982.P001

Chemical Property of N-[(E)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 462.98375
• Heavy Atom Count: 28
• Complexity: 670

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br