Home Sulfos 2,6-dichloro-3-(ethanesulfonyl)benzoic acid

2,6-dichloro-3-(ethanesulfonyl)benzoic acid

CAS No.:
1094238-17-1
Catalog Number:
AG01AH7V
Molecular Formula:
C9H8Cl2O4S
Molecular Weight:
283.1284
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Product Description
Catalog Number:
AG01AH7V
Chemical Name:
2,6-dichloro-3-(ethanesulfonyl)benzoic acid
CAS Number:
1094238-17-1
Molecular Formula:
C9H8Cl2O4S
Molecular Weight:
283.1284
MDL Number:
MFCD11179842
IUPAC Name:
2,6-dichloro-3-ethylsulfonylbenzoic acid
InChI:
InChI=1S/C9H8Cl2O4S/c1-2-16(14,15)6-4-3-5(10)7(8(6)11)9(12)13/h3-4H,2H2,1H3,(H,12,13)
InChI Key:
LVACAZDHNAULKK-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc(c(c1Cl)C(=O)O)Cl
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.952g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.119g/mol
Monoisotopic Mass:
281.952g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties