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Home > Imidazoles > 1015855-78-3
1015855-78-3 | 1H-Imidazole-2-methanol, 1-(methyl-d3)-5-nitro-
CAS No: 1015855-78-3 Catalog No: AG0004WF MDL No:
Product Description
Catalog Number:
AG0004WF
Chemical Name:
1H-Imidazole-2-methanol, 1-(methyl-d3)-5-nitro-
CAS Number:
1015855-78-3
Molecular Formula:
C5H4D3N3O3
Molecular Weight:
160.1459
IUPAC Name:
[5-nitro-1-(trideuteriomethyl)imidazol-2-yl]methanol
InChI:
InChI=1S/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3/i1D3
InChI Key:
JSAQDPJIVQMBAY-FIBGUPNXSA-N
SMILES:
OCc1ncc(n1C([2H])([2H])[2H])[N+](=O)[O-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
3
Molecular Weight:
160.147g/mol
Monoisotopic Mass:
160.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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