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16650-76-3 | 1H-Imidazole, 1-(methyl-d3)-
CAS No: 16650-76-3 Catalog No: AG001WSI MDL No:
Product Description
Catalog Number:
AG001WSI
Chemical Name:
1H-Imidazole, 1-(methyl-d3)-
CAS Number:
16650-76-3
Molecular Formula:
C4H3D3N2
Molecular Weight:
85.1223
IUPAC Name:
1-(trideuteriomethyl)imidazole
InChI:
InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/i1D3
InChI Key:
MCTWTZJPVLRJOU-FIBGUPNXSA-N
SMILES:
C([2H])(n1cncc1)([2H])[2H]
Properties
Complexity:
44.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
85.072g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3
Molecular Weight:
85.124g/mol
Monoisotopic Mass:
85.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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