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Home > Imidazoles > 1221341-57-6
1221341-57-6 | {2-methanesulfonyl-1-[3-(propan-2-yloxy)propyl]-1H-imidazol-5-yl}methanol
CAS No: 1221341-57-6 Catalog No: AG00JTWM MDL No:MFCD14707606
Product Description
Catalog Number:
AG00JTWM
Chemical Name:
{2-methanesulfonyl-1-[3-(propan-2-yloxy)propyl]-1H-imidazol-5-yl}methanol
CAS Number:
1221341-57-6
Molecular Formula:
C11H20N2O4S
Molecular Weight:
276.3525
MDL Number:
MFCD14707606
IUPAC Name:
[2-methylsulfonyl-3-(3-propan-2-yloxypropyl)imidazol-4-yl]methanol
InChI:
InChI=1S/C11H20N2O4S/c1-9(2)17-6-4-5-13-10(8-14)7-12-11(13)18(3,15)16/h7,9,14H,4-6,8H2,1-3H3
InChI Key:
KTYFRZBWHKJBAA-UHFFFAOYSA-N
SMILES:
OCc1cnc(n1CCCOC(C)C)S(=O)(=O)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.351g/mol
Monoisotopic Mass:
276.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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