Home Aldehydes 1020718-69-7
1020718-69-7,MFCD04039636
Catalog No.:AA0006G7
1020718-69-7 | Benzaldehyde-2,3,4,5-d4, 6-nitro-
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5mg
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$768.00   $538.00
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25mg
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Technical Information
Catalog Number:
AA0006G7
Chemical Name:
Benzaldehyde-2,3,4,5-d4, 6-nitro-
CAS Number:
1020718-69-7
Molecular Formula:
C7HD4NO3
Molecular Weight:
155.1441
MDL Number:
MFCD04039636
IUPAC Name:
2,3,4,5-tetradeuterio-6-nitrobenzaldehyde
InChI:
InChI=1S/C7H5NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H/i1D,2D,3D,4D
InChI Key:
CMWKITSNTDAEDT-RHQRLBAQSA-N
SMILES:
O=Cc1c([2H])c([2H])c(c(c1[N+](=O)[O-])[2H])[2H]
Properties
Computed Properties
 
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4  
Molecular Weight:
155.145g/mol
Monoisotopic Mass:
155.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

Synonyms
 
2-Nitrobenzaldehyde-d4 
1020718-69-7 
Benzaldehyde-2,3,4,5-d4, 6-nitro- 
FT-0672748 
J-000562 
2-Nitrobenzaldehyde D4 
CS-T-59329 
2,3,4,5-tetradeuterio-6-nitrobenzaldehyde 
2-Nitro(~2~H_4_)benzaldehyde 
2-NBA-d4 
1-Formyl-2-nitrobenzene-d4 
2-Formyl-3-nitrobenzene-d4 
CTK8F4457 
DTXSID00662147 
NSC 5713-d4 
AKOS030254297 
Literature
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