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1020719-32-7,MFCD07369271
Catalog No.:AA0006GU
1020719-32-7 | 3-Pyridine-2,4,5,6-d4-carbonitrile
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250mg
1 week  
$1,670.00   $1,169.00
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500mg
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$2,920.00   $2,044.00
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Technical Information
Catalog Number:
AA0006GU
Chemical Name:
3-Pyridine-2,4,5,6-d4-carbonitrile
CAS Number:
1020719-32-7
Molecular Formula:
C6D4N2
Molecular Weight:
108.1340
MDL Number:
MFCD07369271
IUPAC Name:
2,4,5,6-tetradeuteriopyridine-3-carbonitrile
InChI:
InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H/i1D,2D,3D,5D
InChI Key:
GZPHSAQLYPIAIN-RZIJKAHPSA-N
SMILES:
N#Cc1c([2H])nc(c(c1[2H])[2H])[2H]
Properties
Computed Properties
 
Complexity:
111  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.063g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4  
Molecular Weight:
108.136g/mol
Monoisotopic Mass:
108.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Synonyms
 
3-Cyanopyridine-2,4,5,6-d4 
1020719-32-7 
Nicotinonitrile-d4 
CTK8F5027 
DTXSID70480991 
AKOS030254335 
3-Pyridine-2,4,5,6-d4-carbonitrile 
FT-0665307 
J-000588 
CS-T-51378 
Literature
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