Home Sulfos 2-chloro-5-(ethanesulfonyl)benzoic acid

2-chloro-5-(ethanesulfonyl)benzoic acid

CAS No.:
90649-97-1
Catalog Number:
AG01AH1M
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
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Product Description
Catalog Number:
AG01AH1M
Chemical Name:
2-chloro-5-(ethanesulfonyl)benzoic acid
CAS Number:
90649-97-1
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD11103062
IUPAC Name:
2-chloro-5-ethylsulfonylbenzoic acid
InChI:
InChI=1S/C9H9ClO4S/c1-2-15(13,14)6-3-4-8(10)7(5-6)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
CJHDNODBCUENAN-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(c(c1)C(=O)O)Cl
Properties
Complexity:
333  
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:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties