Cas no 84030-33-1 (6-chloro-4-[(2-hydroxy-1-naphthyl)azo]toluene-3-sulphonic acid, barium salt)

6-chloro-4-[(2-hydroxy-1-naphthyl)azo]toluene-3-sulphonic acid, barium salt structure
84030-33-1 structure
Product Name:6-chloro-4-[(2-hydroxy-1-naphthyl)azo]toluene-3-sulphonic acid, barium salt
CAS No:84030-33-1
MF:C34H24BaCl2N4O8S2
MW:888.939359664917
CID:733483
Update Time:2023-11-18

6-chloro-4-[(2-hydroxy-1-naphthyl)azo]toluene-3-sulphonic acid, barium salt Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonic acid,4-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-,barium salt (1:?)
    • 6-chloro-4-[(2-hydroxy-1-naphthyl)azo]toluene-3-sulphonic acid, barium salt
    • BARIUM BIS[6-CHLORO-4-[(2-HYDROXY-1-NAPHTHYL)AZO]TOLUENE-3-SULPHONATE]
    • Benzenesulfonic acid, 4-chloro-2-(2-(2-hydroxy-1-naphthalenyl)diazenyl)-5-methyl-, barium salt (2:1)
    • Benzenesulfonic acid, 4-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-methyl-, barium salt (2:1)
    • Barium bis(6-chloro-4-((2-hydroxy-1-naphthyl)azo)toluene-3-sulphonate)
    • 6-Chloro-4-((2-hydroxy-1-naphthyl)azo)toluene-3-sulphonic acid, barium sa
    • CID 136075924
    • Einecs 281-806-1
    • Inchi： 1S/2C17H13ClN2O4S.Ba/c2*1-10-8-16(25(22,23)24)14(9-13(10)18)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2/b2*20-19+;
    • InChI Key： OTLKEWOVEAZDMR-FFRZOONGSA-L
    • SMILES： [Ba+2].ClC1=CC(=C(C=C1C)S(=O)(=O)[O-])/N=N/C1C(=CC=C2C=CC=CC2=1)O.ClC1=CC(=C(C=C1C)S(=O)(=O)[O-])/N=N/C1C(=CC=C2C=CC=CC2=1)O

Computed Properties

  • Exact Mass: 887.947
  • Monoisotopic Mass: 887.947
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 51
  • Rotatable Bond Count: 4
  • Complexity: 581
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 221

6-chloro-4-[(2-hydroxy-1-naphthyl)azo]toluene-3-sulphonic acid, barium salt Related Literature

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