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1219741-19-1 | 1H-Benzimidazole, 5-chloro-6-iodo-2-(methylsulfonyl)-
CAS No: 1219741-19-1 Catalog No: AG0016GY MDL No:MFCD24387215
Product Description
Catalog Number:
AG0016GY
Chemical Name:
1H-Benzimidazole, 5-chloro-6-iodo-2-(methylsulfonyl)-
CAS Number:
1219741-19-1
Molecular Formula:
C8H6ClIN2O2S
Molecular Weight:
356.5679
MDL Number:
MFCD24387215
IUPAC Name:
6-chloro-5-iodo-2-methylsulfonyl-1H-benzimidazole
InChI:
InChI=1S/C8H6ClIN2O2S/c1-15(13,14)8-11-6-2-4(9)5(10)3-7(6)12-8/h2-3H,1H3,(H,11,12)
InChI Key:
FPBJKUTYRBSQNK-UHFFFAOYSA-N
SMILES:
Ic1cc2[nH]c(nc2cc1Cl)S(=O)(=O)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.888g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.562g/mol
Monoisotopic Mass:
355.888g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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