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Home > Imidazoles > 83352-66-3
83352-66-3 | 1H-Imidazole-4-methanol, 5-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS No: 83352-66-3 Catalog No: AG008HZR MDL No:
Product Description
Catalog Number:
AG008HZR
Chemical Name:
1H-Imidazole-4-methanol, 5-methyl-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
83352-66-3
Molecular Formula:
C12H14N2O3S
Molecular Weight:
266.3162
IUPAC Name:
[5-methyl-1-(4-methylphenyl)sulfonylimidazol-4-yl]methanol
InChI:
InChI=1S/C12H14N2O3S/c1-9-3-5-11(6-4-9)18(16,17)14-8-13-12(7-15)10(14)2/h3-6,8,15H,7H2,1-2H3
InChI Key:
COCPKXRNOLDOQM-UHFFFAOYSA-N
SMILES:
OCc1ncn(c1C)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.315g/mol
Monoisotopic Mass:
266.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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