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1233505-73-1 | 4-Chloro-2,5-dimethylbenzenesulfinic acid sodium salt
CAS No: 1233505-73-1 Catalog No: AG01F86Z MDL No:
Product Description
Catalog Number:
AG01F86Z
Chemical Name:
4-Chloro-2,5-dimethylbenzenesulfinic acid sodium salt
CAS Number:
1233505-73-1
Molecular Formula:
C8H8ClNaO2S
Molecular Weight:
226.6557
IUPAC Name:
sodium;4-chloro-2,5-dimethylbenzenesulfinate
InChI:
InChI=1S/C8H9ClO2S.Na/c1-5-4-8(12(10)11)6(2)3-7(5)9;/h3-4H,1-2H3,(H,10,11);/q;+1/p-1
InChI Key:
FZURSUAKLISJJC-UHFFFAOYSA-M
SMILES:
Cc1cc(S(=O)[O-])c(cc1Cl)C.[Na+]
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.983g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.65g/mol
Monoisotopic Mass:
225.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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