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NITROBENZENE-D5

CAS No.:
4165-60-0
Catalog Number:
AG00BY8J
Molecular Formula:
C6D5NO2
Molecular Weight:
128.1402
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Product Description
Catalog Number:
AG00BY8J
Chemical Name:
NITROBENZENE-D5
CAS Number:
4165-60-0
Molecular Formula:
C6D5NO2
Molecular Weight:
128.1402
MDL Number:
MFCD00044415
IUPAC Name:
1,2,3,4,5-pentadeuterio-6-nitrobenzene
InChI:
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D
InChI Key:
LQNUZADURLCDLV-RALIUCGRSA-N
SMILES:
c1([2H])c([2H])c([2H])c(c(c1[N+](=O)[O-])[2H])[2H]
EC Number:
224-014-3
Properties
Complexity:
102  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
5  
Molecular Weight:
128.142g/mol
Monoisotopic Mass:
128.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Controlling cesium cation recognition via cation metathesis within an ion pair receptor. Journal of the American Chemical Society 20120125
Interaction of cesium ions with calix[4]arene-bis(t-octylbenzo-18-crown-6): NMR and theoretical study. The journal of physical chemistry. B 20110616
Interaction of hydrated protons with trioctylphosphine oxide: NMR and theoretical study. The journal of physical chemistry. A 20090521
Nonplanar structures of thioamides derived from 7-azabicyclo[2.2.1]heptane. Electronically tunable planarity of thioamides. The Journal of organic chemistry 20081121
NMR and theoretical study of the cooperative interaction of hydrated proton with dibenzo-24-crown-8. Magnetic resonance in chemistry : MRC 20081101
Alkyl carbon-nitrogen reductive elimination from platinum(IV)-sulfonamide complexes. Journal of the American Chemical Society 20070829
Properties