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Home > Encyclopedia > 4-[2-[5-[[4-(4-Butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid

4-[2-[5-[[4-(4-Butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid

4-[2-[5-[[4-(4-Butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid structure

4-[2-[5-[[4-(4-Butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid 

structure
  • CAS No:

    97417-01-1

  • Formula:

    C29H25ClN8O10S2

  • Chemical Name:

    4-[2-[5-[[4-(4-Butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid

  • Synonyms:

    1H-Pyrazole-3-carboxylic acid,4-[2-[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;1H-Pyrazole-3-carboxylic acid,4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;4-[2-[5-[[4-(4-Butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid

4-[2-[5-[[4-(4-Butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid Basic Attributes

745.1394

745.14

306-850-1

Characteristics

280

5.1

Computed Properties

Molecular Weight:745.1
XLogP3:5.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:13
Exact Mass:744.0823591
Monoisotopic Mass:744.0823591
Topological Polar Surface Area:280
Heavy Atom Count:50
Complexity:1480
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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