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Home > Imidazoles > 84396-05-4
84396-05-4 | 2-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]-1H-benzoimidazole
CAS No: 84396-05-4 Catalog No: AG004X5Z MDL No:
Product Description
Catalog Number:
AG004X5Z
Chemical Name:
2-[4-[2-(4-methylphenyl)sulfonyloxyethoxy]phenyl]-1H-benzoimidazole
CAS Number:
84396-05-4
Molecular Formula:
C22H20N2O4S
Molecular Weight:
408.4702
IUPAC Name:
2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C22H20N2O4S/c1-16-6-12-19(13-7-16)29(25,26)28-15-14-27-18-10-8-17(9-11-18)22-23-20-4-2-3-5-21(20)24-22/h2-13H,14-15H2,1H3,(H,23,24)
InChI Key:
WXHITEPSFKPLNW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCOc1ccc(cc1)c1nc2c([nH]1)cccc2
NSC Number:
303243
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.114g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.472g/mol
Monoisotopic Mass:
408.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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