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142095-12-3

142095-12-3 | Benzenesulfonic acid, 5-chloro-2-(2-methoxyethoxy)-, sodium salt (1:1)

CAS No: 142095-12-3 Catalog No: AG001HRH MDL No:MFCD09752662

Product Description

Catalog Number:
AG001HRH
Chemical Name:
Benzenesulfonic acid, 5-chloro-2-(2-methoxyethoxy)-, sodium salt (1:1)
CAS Number:
142095-12-3
Molecular Formula:
C9H10ClNaO5S
Molecular Weight:
288.6805
MDL Number:
MFCD09752662
IUPAC Name:
5-chloro-2-(2-methoxyethoxy)benzenesulfonic acid;sodium
InChI:
InChI=1S/C9H11ClO5S.Na/c1-14-4-5-15-8-3-2-7(10)6-9(8)16(11,12)13;/h2-3,6H,4-5H2,1H3,(H,11,12,13);
InChI Key:
CWBLLQWTPKPZEA-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1S(=O)(=O)[O-])Cl.[Na+]

Properties

Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.991g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
289.682g/mol
Monoisotopic Mass:
288.991g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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