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83784-12-7 | 2-Naphthalenesulfonicacid,5-[2-(3,5-dichloro-2-hydroxyphenyl)diazenyl]-4-[(ethoxycarbonyl)amino]-6-hydroxy-,lithium salt (1:1)
CAS No: 83784-12-7 Catalog No: AG004SLM MDL No:
Product Description
Catalog Number:
AG004SLM
Chemical Name:
2-Naphthalenesulfonicacid,5-[2-(3,5-dichloro-2-hydroxyphenyl)diazenyl]-4-[(ethoxycarbonyl)amino]-6-hydroxy-,lithium salt (1:1)
CAS Number:
83784-12-7
Molecular Formula:
C19H14Cl2LiN3O7S
Molecular Weight:
506.2424
IUPAC Name:
lithium;5-[(3,5-dichloro-2-hydroxyphenyl)diazenyl]-4-(ethoxycarbonylamino)-6-hydroxynaphthalene-2-sulfonate
InChI:
InChI=1S/C19H15Cl2N3O7S.Li/c1-2-31-19(27)22-13-8-11(32(28,29)30)5-9-3-4-15(25)17(16(9)13)24-23-14-7-10(20)6-12(21)18(14)26;/h3-8,25-26H,2H2,1H3,(H,22,27)(H,28,29,30);/q;+1/p-1
InChI Key:
JLEXOACASIEREG-UHFFFAOYSA-M
SMILES:
CCOC(=O)Nc1cc(cc2c1c(N=Nc1cc(Cl)cc(c1O)Cl)c(cc2)O)S(=O)(=O)[O-].[Li+]
EC Number:
280-843-0
Properties
Complexity:
803
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
505.009g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
506.235g/mol
Monoisotopic Mass:
505.009g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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