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Home > Imidazoles > 86181-71-7
86181-71-7 | 2-Methyl-1-tosyl-1H-imidazole
CAS No: 86181-71-7 Catalog No: AG008F5O MDL No:MFCD03076854
Product Description
Catalog Number:
AG008F5O
Chemical Name:
2-Methyl-1-tosyl-1H-imidazole
CAS Number:
86181-71-7
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD03076854
IUPAC Name:
2-methyl-1-(4-methylphenyl)sulfonylimidazole
InChI:
InChI=1S/C11H12N2O2S/c1-9-3-5-11(6-4-9)16(14,15)13-8-7-12-10(13)2/h3-8H,1-2H3
InChI Key:
ZQJKJFXHLPAQNE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccnc1C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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