Home Sulfos 4-[4-(chlorosulfonyl)-2-methylphenoxy]butanoic acid

4-[4-(chlorosulfonyl)-2-methylphenoxy]butanoic acid

CAS No.:
56359-14-9
Catalog Number:
AG01A97P
Molecular Formula:
C11H13ClO5S
Molecular Weight:
292.7359
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Product Description
Catalog Number:
AG01A97P
Chemical Name:
4-[4-(chlorosulfonyl)-2-methylphenoxy]butanoic acid
CAS Number:
56359-14-9
Molecular Formula:
C11H13ClO5S
Molecular Weight:
292.7359
IUPAC Name:
4-(4-chlorosulfonyl-2-methylphenoxy)butanoic acid
InChI:
InChI=1S/C11H13ClO5S/c1-8-7-9(18(12,15)16)4-5-10(8)17-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
LPTGLVJVIRFFSL-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOc1ccc(cc1C)S(=O)(=O)Cl
Properties
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.017g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
292.73g/mol
Monoisotopic Mass:
292.017g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties