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89521-84-6 | 1H-Benzimidazole, 2-(2-phenyl-1,3-dioxolan-2-yl)-
CAS No: 89521-84-6 Catalog No: AG003ZUP MDL No:
Product Description
Catalog Number:
AG003ZUP
Chemical Name:
1H-Benzimidazole, 2-(2-phenyl-1,3-dioxolan-2-yl)-
CAS Number:
89521-84-6
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
IUPAC Name:
2-(2-phenyl-1,3-dioxolan-2-yl)-1H-benzimidazole
InChI:
InChI=1S/C16H14N2O2/c1-2-6-12(7-3-1)16(19-10-11-20-16)15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H,17,18)
InChI Key:
FIVAAQVYRJMYNF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1(OCCO1)c1nc2c([nH]1)cccc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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