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BENZENE-D1

CAS No.:
1120-89-4
Catalog Number:
AG008SQA
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008SQA
Chemical Name:
BENZENE-D1
CAS Number:
1120-89-4
MDL Number:
MFCD00003011
IUPAC Name:
deuteriobenzene
InChI:
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D
InChI Key:
UHOVQNZJYSORNB-MICDWDOJSA-N
EC Number:
214-321-0
Properties
Complexity:
15.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
79.053g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
1  
Molecular Weight:
79.12g/mol
Monoisotopic Mass:
79.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
EPR and ENDOR spectroscopic study of the reactions of aromatic azides with gallium trichloride. Organic & biomolecular chemistry 20101121
Dynamical consequences of symmetry breaking in benzene and difluorobenzene. The Journal of chemical physics 20101007
NMR properties of conjugated linoleic acid (CLA) methyl ester hydroperoxides. Chemistry and physics of lipids 20080801
Experimental and quantum-chemical determination of the (2)H quadrupole coupling tensor in deuterated benzenes. Physical chemistry chemical physics : PCCP 20070128
Influence of isotopic substitution on the diffusion and thermal diffusion coefficient of binary liquids. The European physical journal. E, Soft matter 20061201
Dipole moment derivatives with respect to the internal coordinates of benzene in the liquid and gas phases. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20061101
Universal isotope effect in thermal diffusion of mixtures containing cyclohexane and cyclohexane-d12. The Journal of chemical physics 20050701
Volumetric intensity dependence on the formation of molecular and atomic ions within a high intensity laser focus. Journal of the American Society for Mass Spectrometry 20050101
Properties