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Home Sulfos 4-Iodobenzenesulfonyl chloride

4-Iodobenzenesulfonyl chloride

CAS No.:
98-61-3
Catalog Number:
AG003LKN
Molecular Formula:
C6H4ClIO2S
Molecular Weight:
302.5172
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>93.0%(T)
1 week
United States
$103
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Product Description
Catalog Number:
AG003LKN
Chemical Name:
4-Iodobenzenesulfonyl chloride
CAS Number:
98-61-3
Molecular Formula:
C6H4ClIO2S
Molecular Weight:
302.5172
MDL Number:
MFCD00007441
IUPAC Name:
4-iodobenzenesulfonyl chloride
InChI:
InChI=1S/C6H4ClIO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4H
InChI Key:
POXFXTSTVWDWIR-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)S(=O)(=O)Cl
EC Number:
202-686-9
UNII:
MVL274EZOG
NSC Number:
77079
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.867g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.51g/mol
Monoisotopic Mass:
301.867g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Molecular structure, vibrational spectroscopic, first hyperpolarizability, NBO and HOMO, LUMO studies of P-Iodobenzene sulfonyl chloride. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111101
N,N-Dimethyl-acetamide-4-iodo-benzene-sulfonic acid-water (1/1/1). Acta crystallographica. Section E, Structure reports online 20081201
Properties