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13064-50-1 | Ethanesulfonic acid, 2-chloro-1-hydroxy-, sodium salt (1:1)
CAS No: 13064-50-1 Catalog No: AG000UQY MDL No:MFCD00059901
Product Description
Catalog Number:
AG000UQY
Chemical Name:
Ethanesulfonic acid, 2-chloro-1-hydroxy-, sodium salt (1:1)
CAS Number:
13064-50-1
Molecular Formula:
C2H4ClNaO4S
Molecular Weight:
182.5585
MDL Number:
MFCD00059901
IUPAC Name:
sodium;2-chloro-1-hydroxyethanesulfonate
InChI:
InChI=1S/C2H5ClO4S.Na/c3-1-2(4)8(5,6)7;/h2,4H,1H2,(H,5,6,7);/q;+1/p-1
InChI Key:
FOSIEWVVVRVFJH-UHFFFAOYSA-M
SMILES:
ClCC(S(=O)(=O)[O-])O.[Na+]
EC Number:
235-958-0
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.942g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.55g/mol
Monoisotopic Mass:
181.942g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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