Home Sulfos 2,5-Dichlorobenzenesulfonic acid dihydrate

2,5-Dichlorobenzenesulfonic acid dihydrate

CAS No.:
38484-94-5
Catalog Number:
AG003FX7
Molecular Formula:
C6H8Cl2O5S
Molecular Weight:
263.0957
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Product Description
Catalog Number:
AG003FX7
Chemical Name:
2,5-Dichlorobenzenesulfonic acid dihydrate
CAS Number:
38484-94-5
Molecular Formula:
C6H8Cl2O5S
Molecular Weight:
263.0957
MDL Number:
MFCD00035751
IUPAC Name:
2,5-dichlorobenzenesulfonic acid;dihydrate
InChI:
InChI=1S/C6H4Cl2O3S.2H2O/c7-4-1-2-5(8)6(3-4)12(9,10)11;;/h1-3H,(H,9,10,11);2*1H2
InChI Key:
VPJICTWHRNQYRG-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)S(=O)(=O)O)Cl.O.O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.947g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
263.085g/mol
Monoisotopic Mass:
261.947g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties