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1015855-83-0,MFCD09265284
Catalog No.:AA0004TM
1015855-83-0 | 1H-Imidazole, 1-(methyl-d3)-2-(1-methylethyl)-5-nitro-
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10mg
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$622.00   $435.00
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Technical Information
Catalog Number:
AA0004TM
Chemical Name:
1H-Imidazole, 1-(methyl-d3)-2-(1-methylethyl)-5-nitro-
CAS Number:
1015855-83-0
Molecular Formula:
C7H8D3N3O2
Molecular Weight:
172.1996
MDL Number:
MFCD09265284
IUPAC Name:
5-nitro-2-propan-2-yl-1-(trideuteriomethyl)imidazole
InChI:
InChI=1S/C7H11N3O2/c1-5(2)7-8-4-6(9(7)3)10(11)12/h4-5H,1-3H3/i3D3
InChI Key:
NTAFJUSDNOSFFY-HPRDVNIFSA-N
SMILES:
CC(c1ncc(n1C([2H])([2H])[2H])[N+](=O)[O-])C
Properties
Computed Properties
 
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.104g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3  
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.104g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
Ipronidazole-d3 
1015855-83-0 
1-(~2~H_3_)Methyl-5-nitro-2-(propan-2-yl)-1H-imidazole 
CS-W-00124 
Ipronidazole D3 
5-nitro-2-propan-2-yl-1-(trideuteriomethyl)imidazole 
CTK8G0347 
DTXSID70583597 
Ipronidazole D3 (N-methyl D3) 
2-Isopropyl-1-methyl-d3-5-nitro-1H-imidazole 
Ipronidazole-d3, VETRANAL(TM), analytical standard 
J-000444 
Literature
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