Home Nitriles 1,4-Benzene-2,3,5,6-d4-dicarbonitrile

1,4-Benzene-2,3,5,6-d4-dicarbonitrile

CAS No.:
69299-69-0
Catalog Number:
AG00IKMC
Molecular Formula:
C8D4N2
Molecular Weight:
132.1554
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Product Description
Catalog Number:
AG00IKMC
Chemical Name:
1,4-Benzene-2,3,5,6-d4-dicarbonitrile
CAS Number:
69299-69-0
Molecular Formula:
C8D4N2
Molecular Weight:
132.1554
MDL Number:
MFCD30146480
IUPAC Name:
2,3,5,6-tetradeuteriobenzene-1,4-dicarbonitrile
InChI:
InChI=1S/C8H4N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H/i1D,2D,3D,4D
InChI Key:
BHXFKXOIODIUJO-RHQRLBAQSA-N
SMILES:
c1([2H])c(C#N)c([2H])c(c(c1[2H])C#N)[2H]
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
4  
Molecular Weight:
132.158g/mol
Monoisotopic Mass:
132.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties