Home Other Building Blocks 4-CYANO-4'-PENTYLDIPHENYL-D19

4-CYANO-4'-PENTYLDIPHENYL-D19

CAS No.:
117950-85-3
Catalog Number:
AG008SZR
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008SZR
Chemical Name:
4-CYANO-4'-PENTYLDIPHENYL-D19
CAS Number:
117950-85-3
MDL Number:
MFCD01074009
IUPAC Name:
2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentyl)phenyl]benzonitrile
InChI:
InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D,7D,8D,9D,10D,11D,12D,13D
InChI Key:
HHPCNRKYVYWYAU-BYPAVJMLSA-N
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.271g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
19  
Molecular Weight:
268.473g/mol
Monoisotopic Mass:
268.271g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Properties