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Home Sulfos Acetic acid, 2-[4-(chlorosulfonyl)phenoxy]-

Acetic acid, 2-[4-(chlorosulfonyl)phenoxy]-

CAS No.:
17641-39-3
Catalog Number:
AG0024ON
Molecular Formula:
C8H7ClO5S
Molecular Weight:
250.6562
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Product Description
Catalog Number:
AG0024ON
Chemical Name:
Acetic acid, 2-[4-(chlorosulfonyl)phenoxy]-
CAS Number:
17641-39-3
Molecular Formula:
C8H7ClO5S
Molecular Weight:
250.6562
IUPAC Name:
2-(4-chlorosulfonylphenoxy)acetic acid
InChI:
InChI=1S/C8H7ClO5S/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
NSVSCKUCAQQETF-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.97g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.649g/mol
Monoisotopic Mass:
249.97g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis of functional aromatic multisulfonyl chlorides and their masked precursors. The Journal of organic chemistry 20010323
Properties