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Home > Imidazoles > 872544-81-5
872544-81-5 | Cyclohexanol, 1-[1-[4-(methylsulfonyl)phenyl]-1H-imidazol-2-yl]-
CAS No: 872544-81-5 Catalog No: AG004J8G MDL No:
Product Description
Catalog Number:
AG004J8G
Chemical Name:
Cyclohexanol, 1-[1-[4-(methylsulfonyl)phenyl]-1H-imidazol-2-yl]-
CAS Number:
872544-81-5
Molecular Formula:
C16H20N2O3S
Molecular Weight:
320.4066
IUPAC Name:
1-[1-(4-methylsulfonylphenyl)imidazol-2-yl]cyclohexan-1-ol
InChI:
InChI=1S/C16H20N2O3S/c1-22(20,21)14-7-5-13(6-8-14)18-12-11-17-15(18)16(19)9-3-2-4-10-16/h5-8,11-12,19H,2-4,9-10H2,1H3
InChI Key:
KYBSTNAOCALFEC-UHFFFAOYSA-N
SMILES:
OC1(CCCCC1)c1nccn1c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.407g/mol
Monoisotopic Mass:
320.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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