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88-42-6 | 2,5-Dichlorobenzenesulfonic acid
CAS No: 88-42-6 Catalog No: AG004HQM MDL No:MFCD00035751
Product Description
Catalog Number:
AG004HQM
Chemical Name:
2,5-Dichlorobenzenesulfonic acid
CAS Number:
88-42-6
Molecular Formula:
C6H4Cl2O3S
Molecular Weight:
227.0652
MDL Number:
MFCD00035751
IUPAC Name:
2,5-dichlorobenzenesulfonic acid
InChI:
InChI=1S/C6H4Cl2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H,9,10,11)
InChI Key:
LFXZSGVZSSMCMB-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)S(=O)(=O)O)Cl
EC Number:
201-829-2
UNII:
3518F21Z53
NSC Number:
8755
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.926g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.055g/mol
Monoisotopic Mass:
225.926g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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