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Home > Imidazoles > 824427-22-7
824427-22-7 | 1-Propanone, 1-(5-methoxy-1H-benzimidazol-2-yl)-2,2-dimethyl-
CAS No: 824427-22-7 Catalog No: AG008JN3 MDL No:
Product Description
Catalog Number:
AG008JN3
Chemical Name:
1-Propanone, 1-(5-methoxy-1H-benzimidazol-2-yl)-2,2-dimethyl-
CAS Number:
824427-22-7
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
1-(6-methoxy-1H-benzimidazol-2-yl)-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C13H16N2O2/c1-13(2,3)11(16)12-14-9-6-5-8(17-4)7-10(9)15-12/h5-7H,1-4H3,(H,14,15)
InChI Key:
NTCGFLCKAFJWHF-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc([nH]2)C(=O)C(C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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