Home Sulfos sodium 5-chloro-4-methyl-2-nitrobenzene-1-sulfonate

sodium 5-chloro-4-methyl-2-nitrobenzene-1-sulfonate

CAS No.:
70230-88-5
Catalog Number:
AG019KEU
Molecular Formula:
C7H5ClNNaO5S
Molecular Weight:
273.6261
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Product Description
Catalog Number:
AG019KEU
Chemical Name:
sodium 5-chloro-4-methyl-2-nitrobenzene-1-sulfonate
CAS Number:
70230-88-5
Molecular Formula:
C7H5ClNNaO5S
Molecular Weight:
273.6261
MDL Number:
MFCD08729242
IUPAC Name:
sodium;5-chloro-4-methyl-2-nitrobenzenesulfonate
InChI:
InChI=1S/C7H6ClNO5S.Na/c1-4-2-6(9(10)11)7(3-5(4)8)15(12,13)14;/h2-3H,1H3,(H,12,13,14);/q;+1/p-1
InChI Key:
KLRLEMVADKCRFW-UHFFFAOYSA-M
SMILES:
Clc1cc(c(cc1C)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
Properties
Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.947g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.619g/mol
Monoisotopic Mass:
272.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties