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Home > Imidazoles > 138942-44-6
138942-44-6 | 1H-Benzimidazole, 1-(2,2-diethoxyethyl)-
CAS No: 138942-44-6 Catalog No: AG0019W4 MDL No:MFCD02999860
Product Description
Catalog Number:
AG0019W4
Chemical Name:
1H-Benzimidazole, 1-(2,2-diethoxyethyl)-
CAS Number:
138942-44-6
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD02999860
IUPAC Name:
1-(2,2-diethoxyethyl)benzimidazole
InChI:
InChI=1S/C13H18N2O2/c1-3-16-13(17-4-2)9-15-10-14-11-7-5-6-8-12(11)15/h5-8,10,13H,3-4,9H2,1-2H3
InChI Key:
QZCDTRTYNPVMPL-UHFFFAOYSA-N
SMILES:
CCOC(Cn1cnc2c1cccc2)OCC
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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