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76099-38-2 | 1H-Benzimidazole,1-methyl-2-(2-phenyl-1,3-dioxolan-2-yl)-
CAS No: 76099-38-2 Catalog No: AG005G77 MDL No:
Product Description
Catalog Number:
AG005G77
Chemical Name:
1H-Benzimidazole,1-methyl-2-(2-phenyl-1,3-dioxolan-2-yl)-
CAS Number:
76099-38-2
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
1-methyl-2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazole
InChI:
InChI=1S/C17H16N2O2/c1-19-15-10-6-5-9-14(15)18-16(19)17(20-11-12-21-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChI Key:
QONJFQSMMBSPSM-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2nc1C1(OCCO1)c1ccccc1
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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