6-chloro-5-iodo-2-methylsulfonyl-1H-benzimidazole


Chemical Name: 6-chloro-5-iodo-2-methylsulfonyl-1H-benzimidazole
CAS Number: 1219741-19-1
Product Number: AG0016GY(AGN-PC-0BUA9Y)
Synonyms:
MDL No:
Molecular Formula: C8H6ClIN2O2S
Molecular Weight: 356.5679

Identification/Properties


Computed Properties
Molecular Weight:
356.562g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
355.888g/mol
Monoisotopic Mass:
355.888g/mol
Topological Polar Surface Area:
71.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
345
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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