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2102-15-0,MFCD00190382
Catalog No.:AA002KK3
2102-15-0 | Benzonitrile-2,3,4,5,6-d5
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Purity
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500mg
99%
2 weeks  
$947.00   $663.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA002KK3
Chemical Name:
Benzonitrile-2,3,4,5,6-d5
CAS Number:
2102-15-0
Molecular Formula:
C7D5N
Molecular Weight:
108.1521
MDL Number:
MFCD00190382
IUPAC Name:
2,3,4,5,6-pentadeuteriobenzonitrile
InChI:
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H/i1D,2D,3D,4D,5D
InChI Key:
JFDZBHWFFUWGJE-RALIUCGRSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1C#N)[2H])[2H]
Properties
Computed Properties
 
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.074g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
5  
Molecular Weight:
108.155g/mol
Monoisotopic Mass:
108.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Synonyms
 
Benzonitrile-d5 
2102-15-0 
Benzonitrile D5 
CS-T-48686 
(~2~H_5_)Benzonitrile 
Phenyl-d5 cyanide 
SCHEMBL10051944 
CTK8F7976 
Benzonitrile-d5, 99 atom % D 
DTXSID60584018 
AKOS030241783 
J-013774 
Literature

Title: Elementary reactions and their role in gas-phase prebiotic chemistry.

Journal: International journal of molecular sciences 20090501

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