[1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-


Chemical Name: [1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-
CAS Number: 40817-08-1
Product Number: AG00I7ZV(AGN-PC-0JLZLB)
Synonyms:
MDL No:
Molecular Formula: C18H19N
Molecular Weight: 249.3502

Identification/Properties


Computed Properties
Molecular Weight:
249.357g/mol
XLogP3:
5.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
5
Exact Mass:
249.152g/mol
Monoisotopic Mass:
249.152g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
284
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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