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872544-82-6 | 1H-Imidazole, 2-(1-cyclohexen-1-yl)-1-[4-(methylsulfonyl)phenyl]-
CAS No: 872544-82-6 Catalog No: AG004MKM MDL No:
Product Description
Catalog Number:
AG004MKM
Chemical Name:
1H-Imidazole, 2-(1-cyclohexen-1-yl)-1-[4-(methylsulfonyl)phenyl]-
CAS Number:
872544-82-6
Molecular Formula:
C16H18N2O2S
Molecular Weight:
302.3913
IUPAC Name:
2-(cyclohexen-1-yl)-1-(4-methylsulfonylphenyl)imidazole
InChI:
InChI=1S/C16H18N2O2S/c1-21(19,20)15-9-7-14(8-10-15)18-12-11-17-16(18)13-5-3-2-4-6-13/h5,7-12H,2-4,6H2,1H3
InChI Key:
QUVDYBLWMMFYFG-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccc(cc1)n1ccnc1C1=CCCCC1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.392g/mol
Monoisotopic Mass:
302.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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