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Home > Imidazoles > 98519-13-2
98519-13-2 | 1-((2-(2-BENZOFURANYL)-1,3-DIOXAN-2-YL)METHYL)-1H-IMIDAZOLE
CAS No: 98519-13-2 Catalog No: AG0067YJ MDL No:
Product Description
Catalog Number:
AG0067YJ
Chemical Name:
1-((2-(2-BENZOFURANYL)-1,3-DIOXAN-2-YL)METHYL)-1H-IMIDAZOLE
CAS Number:
98519-13-2
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
1-[[2-(1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
InChI:
InChI=1S/C16H16N2O3/c1-2-5-14-13(4-1)10-15(21-14)16(19-8-3-9-20-16)11-18-7-6-17-12-18/h1-2,4-7,10,12H,3,8-9,11H2
InChI Key:
QXWQGVSLRHBJTR-UHFFFAOYSA-N
SMILES:
C1COC(OC1)(Cn1cncc1)c1cc2c(o1)cccc2
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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