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139769-20-3 | 1-iodo-3-methanesulfonylbenzene
CAS No: 139769-20-3 Catalog No: AG01BVC4 MDL No:MFCD00955956
Product Description
Catalog Number:
AG01BVC4
Chemical Name:
1-iodo-3-methanesulfonylbenzene
CAS Number:
139769-20-3
Molecular Formula:
C7H7IO2S
Molecular Weight:
282.0987
MDL Number:
MFCD00955956
IUPAC Name:
1-iodo-3-methylsulfonylbenzene
InChI:
InChI=1S/C7H7IO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:
XTSLBDJQPAYELB-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)S(=O)(=O)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.921g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.095g/mol
Monoisotopic Mass:
281.921g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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