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140449-09-8 | Benzene, [(iodomethyl)sulfonyl]methyl- (9CI)
CAS No: 140449-09-8 Catalog No: AG001CG1 MDL No:
Product Description
Catalog Number:
AG001CG1
Chemical Name:
Benzene, [(iodomethyl)sulfonyl]methyl- (9CI)
CAS Number:
140449-09-8
Molecular Formula:
C8H9IO2S
Molecular Weight:
296.1253
IUPAC Name:
iodomethylsulfonylmethylbenzene
InChI:
InChI=1S/C8H9IO2S/c9-7-12(10,11)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
JDWWZZSCTWOKAG-UHFFFAOYSA-N
SMILES:
ICS(=O)(=O)Cc1ccccc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.937g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.122g/mol
Monoisotopic Mass:
295.937g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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