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831224-94-3 | Benzene, 1-iodo-4-[(methylsulfinyl)methyl]-
CAS No: 831224-94-3 Catalog No: AG005128 MDL No:
Product Description
Catalog Number:
AG005128
Chemical Name:
Benzene, 1-iodo-4-[(methylsulfinyl)methyl]-
CAS Number:
831224-94-3
Molecular Formula:
C8H9IOS
Molecular Weight:
280.1259
IUPAC Name:
1-iodo-4-(methylsulfinylmethyl)benzene
InChI:
InChI=1S/C8H9IOS/c1-11(10)6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3
InChI Key:
DGAJNNJZABXBSA-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)CS(=O)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.942g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.123g/mol
Monoisotopic Mass:
279.942g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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