Home Sulfos 3-Chloro-4-chlorosulfonyl-benzoic acid

3-Chloro-4-chlorosulfonyl-benzoic acid

CAS No.:
29872-68-2
Catalog Number:
AG019CGP
Molecular Formula:
C7H4Cl2O4S
Molecular Weight:
255.0753
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Product Description
Catalog Number:
AG019CGP
Chemical Name:
3-Chloro-4-chlorosulfonyl-benzoic acid
CAS Number:
29872-68-2
Molecular Formula:
C7H4Cl2O4S
Molecular Weight:
255.0753
MDL Number:
MFCD06208190
IUPAC Name:
3-chloro-4-chlorosulfonylbenzoic acid
InChI:
InChI=1S/C7H4Cl2O4S/c8-5-3-4(7(10)11)1-2-6(5)14(9,12)13/h1-3H,(H,10,11)
InChI Key:
XHFNLMKGUSRXQF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)S(=O)(=O)Cl
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.921g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.065g/mol
Monoisotopic Mass:
253.921g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties