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37891-96-6 | Benzene, 1-[(iodoMethyl)sulfonyl]-4-Methyl
CAS No: 37891-96-6 Catalog No: AG00CMLK MDL No:
Product Description
Catalog Number:
AG00CMLK
Chemical Name:
Benzene, 1-[(iodoMethyl)sulfonyl]-4-Methyl
CAS Number:
37891-96-6
IUPAC Name:
1-(iodomethylsulfonyl)-4-methylbenzene
InChI:
InChI=1S/C8H9IO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5H,6H2,1H3
InChI Key:
FHXRXZOSNIASHH-UHFFFAOYSA-N
UNII:
7XKJ4AI519
Properties
Complexity:
222
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:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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