Home Sulfos 5-(chlorosulfonyl)-2,4-dimethylbenzoic acid

5-(chlorosulfonyl)-2,4-dimethylbenzoic acid

CAS No.:
313346-23-5
Catalog Number:
AG019N9C
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
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Product Description
Catalog Number:
AG019N9C
Chemical Name:
5-(chlorosulfonyl)-2,4-dimethylbenzoic acid
CAS Number:
313346-23-5
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD09049987
IUPAC Name:
5-chlorosulfonyl-2,4-dimethylbenzoic acid
InChI:
InChI=1S/C9H9ClO4S/c1-5-3-6(2)8(15(10,13)14)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
FFRJDYMIRFLOCU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(cc1C)C)S(=O)(=O)Cl
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties