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256366-08-2 | 1H-Benzimidazole, 2-(iodomethyl)-1-(methylsulfonyl)-
CAS No: 256366-08-2 Catalog No: AG007MGS MDL No:
Product Description
Catalog Number:
AG007MGS
Chemical Name:
1H-Benzimidazole, 2-(iodomethyl)-1-(methylsulfonyl)-
CAS Number:
256366-08-2
Molecular Formula:
C9H9IN2O2S
Molecular Weight:
336.1494
IUPAC Name:
2-(iodomethyl)-1-methylsulfonylbenzimidazole
InChI:
InChI=1S/C9H9IN2O2S/c1-15(13,14)12-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3
InChI Key:
GDWRVZPLJSKFEI-UHFFFAOYSA-N
SMILES:
ICc1nc2c(n1S(=O)(=O)C)cccc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.943g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.147g/mol
Monoisotopic Mass:
335.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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