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64984-08-3 | 1-Iodo-4-(methylsulfonyl)benzene
CAS No: 64984-08-3 Catalog No: AG00F7IE MDL No:MFCD00955957
Product Description
Catalog Number:
AG00F7IE
Chemical Name:
1-Iodo-4-(methylsulfonyl)benzene
CAS Number:
64984-08-3
Molecular Formula:
C7H7IO2S
Molecular Weight:
282.0987
MDL Number:
MFCD00955957
IUPAC Name:
1-iodo-4-methylsulfonylbenzene
InChI:
InChI=1S/C7H7IO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key:
MPWOAZOKZVMNFK-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
209
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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