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1015855-78-3,MFCD09265283
Catalog No.:AA0004TN
1015855-78-3 | 1H-Imidazole-2-methanol, 1-(methyl-d3)-5-nitro-
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0004TN
Chemical Name:
1H-Imidazole-2-methanol, 1-(methyl-d3)-5-nitro-
CAS Number:
1015855-78-3
Molecular Formula:
C5H4D3N3O3
Molecular Weight:
160.1459
MDL Number:
MFCD09265283
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
Computed 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  

Synonyms
 
HMMNI-d3 
1015855-78-3 
1-(Methyl-d3)-2-hydroxymethyl-5-nitroimidazole 
2-Hydroxymethyl-1-(methyl-d3)-5-nitroimidazole 
1-(Methyl-d3)-5-nitro-1H-imidazole-2-methanol 
2-Hydroxymethyl-1-methyl-d3-5-nitro-1H-imidazole 
1H-Imidazole-2-methanol, 1-(methyl-d3)-5-nitro- 
J-000443 
[5-nitro-1-(trideuteriomethyl)imidazol-2-yl]methanol 
[1-(~2~H_3_)Methyl-5-nitro-1H-imidazol-2-yl]methanol 
Hydroxy Dimetridazole D3 
CS-T-55795 
Hydroxy Dimetridazole-d3 
Dimetridazole-2-hydroxy D3 
CTK8G0197 
DTXSID50583595 
AKOS030243145 
1-(Methyl-d3)-5-nitro-2-imidazolemethanol 
FT-0669360 
HMMNI-d3, VETRANAL(TM), analytical standard 
Literature
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