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5138-90-9 | Sodium 4-chlorobenzenesulfonate
CAS No: 5138-90-9 Catalog No: AG003UBA MDL No:MFCD00014731
Product Description
Catalog Number:
AG003UBA
Chemical Name:
Sodium 4-chlorobenzenesulfonate
CAS Number:
5138-90-9
Molecular Formula:
C6H4ClNaO3S
Molecular Weight:
214.6019
MDL Number:
MFCD00014731
IUPAC Name:
sodium;4-chlorobenzenesulfonate
InChI:
InChI=1S/C6H5ClO3S.Na/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
InChI Key:
XLKHCFJHGIAKFX-UHFFFAOYSA-M
SMILES:
Clc1ccc(cc1)S(=O)(=O)[O-].[Na+]
EC Number:
225-900-2
UNII:
E81P56D65B
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.947g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.595g/mol
Monoisotopic Mass:
213.947g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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