Home Sulfos 2-[3-(chlorosulfonyl)-2,6-dimethylphenoxy]acetic acid

2-[3-(chlorosulfonyl)-2,6-dimethylphenoxy]acetic acid

CAS No.:
1240528-80-6
Catalog Number:
AG01A9D2
Molecular Formula:
C10H11ClO5S
Molecular Weight:
278.7093
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Product Description
Catalog Number:
AG01A9D2
Chemical Name:
2-[3-(chlorosulfonyl)-2,6-dimethylphenoxy]acetic acid
CAS Number:
1240528-80-6
Molecular Formula:
C10H11ClO5S
Molecular Weight:
278.7093
MDL Number:
MFCD16547725
IUPAC Name:
2-(3-chlorosulfonyl-2,6-dimethylphenoxy)acetic acid
InChI:
InChI=1S/C10H11ClO5S/c1-6-3-4-8(17(11,14)15)7(2)10(6)16-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChI Key:
NYYCVCUBZGTFST-UHFFFAOYSA-N
SMILES:
OC(=O)COc1c(C)ccc(c1C)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:
278.002g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.703g/mol
Monoisotopic Mass:
278.002g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties