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82933-90-2 | chromium(3+) sodium 5-chloro-3-{[3-methyl-5-oxido-1-(3-sulfonatophenyl)-1h-pyrazol-4-yl]diazenyl}-2-oxidobenzenesulfonate(1:1:1)
CAS No: 82933-90-2 Catalog No: AG005EOW MDL No:
Product Description
Catalog Number:
AG005EOW
Chemical Name:
chromium(3+) sodium 5-chloro-3-{[3-methyl-5-oxido-1-(3-sulfonatophenyl)-1h-pyrazol-4-yl]diazenyl}-2-oxidobenzenesulfonate(1:1:1)
CAS Number:
82933-90-2
Molecular Formula:
C16H9ClCrN4NaO8S2
Molecular Weight:
559.8335
IUPAC Name:
sodium;5-chloro-3-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-2-oxidobenzenesulfonate;chromium(3+)
InChI:
InChI=1S/C16H13ClN4O8S2.Cr.Na/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26;;/h2-7,22-23H,1H3,(H,24,25,26)(H,27,28,29);;/q;+3;+1/p-4
InChI Key:
HQBKGOCRCWUTTD-UHFFFAOYSA-J
SMILES:
Clc1cc(N=Nc2c(C)nn(c2[O-])c2cccc(c2)S(=O)(=O)[O-])c(c(c1)S(=O)(=O)[O-])[O-].[Na+].[Cr+3]
EC Number:
280-068-8
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.885g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
559.824g/mol
Monoisotopic Mass:
558.885g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
220A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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