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71254-89-2 | 1H-Imidazole, 4,5-dihydro-4,4-dimethyl-1-[(4-methylphenyl)sulfonyl]-
CAS No: 71254-89-2 Catalog No: AG005VU1 MDL No:
Product Description
Catalog Number:
AG005VU1
Chemical Name:
1H-Imidazole, 4,5-dihydro-4,4-dimethyl-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
71254-89-2
Molecular Formula:
C12H16N2O2S
Molecular Weight:
252.3326
IUPAC Name:
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-4H-imidazole
InChI:
InChI=1S/C12H16N2O2S/c1-10-4-6-11(7-5-10)17(15,16)14-8-12(2,3)13-9-14/h4-7,9H,8H2,1-3H3
InChI Key:
SFVXLICLYHNIGE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1C=NC(C1)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.332g/mol
Monoisotopic Mass:
252.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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