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Home > Imidazoles > 163854-63-5
163854-63-5 | 1H-Imidazole, 4-iodo-1-[(4-methylphenyl)sulfonyl]-
CAS No: 163854-63-5 Catalog No: AG001UFX MDL No:MFCD04039580
Product Description
Catalog Number:
AG001UFX
Chemical Name:
1H-Imidazole, 4-iodo-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
163854-63-5
Molecular Formula:
C10H9IN2O2S
Molecular Weight:
348.1601
MDL Number:
MFCD04039580
IUPAC Name:
4-iodo-1-(4-methylphenyl)sulfonylimidazole
InChI:
InChI=1S/C10H9IN2O2S/c1-8-2-4-9(5-3-8)16(14,15)13-6-10(11)12-7-13/h2-7H,1H3
InChI Key:
GNMAMHYZZVUENR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cnc(c1)I
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.943g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.158g/mol
Monoisotopic Mass:
347.943g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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