Home Sulfos 2,7-Naphthalenedisulfonic acid, 3,6-bis[2-(4-chloro-2-phosphonophenyl)diazenyl]-4,5-dihydroxy-

2,7-Naphthalenedisulfonic acid, 3,6-bis[2-(4-chloro-2-phosphonophenyl)diazenyl]-4,5-dihydroxy-

CAS No.:
1914-99-4
Catalog Number:
AG002F7K
Molecular Formula:
C22H16Cl2N4O14P2S2
Molecular Weight:
757.3644
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Product Description
Catalog Number:
AG002F7K
Chemical Name:
2,7-Naphthalenedisulfonic acid, 3,6-bis[2-(4-chloro-2-phosphonophenyl)diazenyl]-4,5-dihydroxy-
CAS Number:
1914-99-4
Molecular Formula:
C22H16Cl2N4O14P2S2
Molecular Weight:
757.3644
MDL Number:
MFCD00042698
IUPAC Name:
3,6-bis[(4-chloro-2-phosphonophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C22H16Cl2N4O14P2S2/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)
InChI Key:
LMBABJNSZGKTBA-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)P(=O)(O)O)N=Nc1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccc(cc1P(=O)(O)O)Cl)S(=O)(=O)O
EC Number:
217-628-8
Properties
Complexity:
1380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
755.896g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
18  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
757.352g/mol
Monoisotopic Mass:
755.896g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
331A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Development of novel measurement assay for calcium in serum by the chlorophosphonazo-III vanadate method. Annals of clinical biochemistry 20100901
Properties