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Home > Imidazoles > 1020719-48-5
1020719-48-5 | 2H-Imidazo[4,5-b]pyridin-2-one, 1,3-dihydro-1-(methyl-d3)-6-phenyl-
CAS No: 1020719-48-5 Catalog No: AG0006JF MDL No:
Product Description
Catalog Number:
AG0006JF
Chemical Name:
2H-Imidazo[4,5-b]pyridin-2-one, 1,3-dihydro-1-(methyl-d3)-6-phenyl-
CAS Number:
1020719-48-5
Molecular Formula:
C13H8D3N3O
Molecular Weight:
228.2644
IUPAC Name:
6-phenyl-1-(trideuteriomethyl)-3H-imidazo[4,5-b]pyridin-2-one
InChI:
InChI=1S/C13H11N3O/c1-16-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(16)17/h2-8H,1H3,(H,14,15,17)/i1D3
InChI Key:
PDYMCBRGMDRAPX-FIBGUPNXSA-N
SMILES:
O=c1[nH]c2c(n1C([2H])([2H])[2H])cc(cn2)c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.109g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
228.269g/mol
Monoisotopic Mass:
228.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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