5-[[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]diazenyl]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid

Base Information

• Chemical Name: 5-[[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]diazenyl]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
• CAS No.: 4882-79-5
• Molecular Formula: C24H17 Cl2 N7 O8 S2
• Molecular Weight: 666.46988
• European Community (EC) Number: 225-493-1
• Mol file: 4882-79-5.mol

Synonyms:4882-79-5

Chemical Property of 5-[[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]diazenyl]-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid

Chemical Property:

• Density: 1.7g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 9
• Exact Mass: 664.9957083
• Heavy Atom Count: 43
• Complexity: 1210

Purity/Quality:

99% ^*data from raw suppliers

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Useful:

• Canonical SMILES: C1=CC(=CC=C1NCC2=NC(=NC(=N2)Cl)Cl)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

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