Home Sulfos 3-[4-(chlorosulfonyl)-2-methylphenoxy]propanoic acid

3-[4-(chlorosulfonyl)-2-methylphenoxy]propanoic acid

CAS No.:
1016822-12-0
Catalog Number:
AG01A7J2
Molecular Formula:
C10H11ClO5S
Molecular Weight:
278.7093
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Product Description
Catalog Number:
AG01A7J2
Chemical Name:
3-[4-(chlorosulfonyl)-2-methylphenoxy]propanoic acid
CAS Number:
1016822-12-0
Molecular Formula:
C10H11ClO5S
Molecular Weight:
278.7093
MDL Number:
MFCD09944876
IUPAC Name:
3-(4-chlorosulfonyl-2-methylphenoxy)propanoic acid
InChI:
InChI=1S/C10H11ClO5S/c1-7-6-8(17(11,14)15)2-3-9(7)16-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChI Key:
DSPOCWCVUVRRPB-UHFFFAOYSA-N
SMILES:
OC(=O)CCOc1ccc(cc1C)S(=O)(=O)Cl
Properties
Complexity:
361  
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:
5  
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties