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


Chemical Name: [1,1'-Biphenyl]-4-carbonitrile, 4'-octyl-
CAS Number: 52709-84-9
Product Number: AG00DDTJ(AGN-PC-0JLE8M)
Synonyms:
MDL No:
Molecular Formula: C21H25N
Molecular Weight: 291.4299

Identification/Properties


Computed Properties
Molecular Weight:
291.438g/mol
XLogP3:
7.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
8
Exact Mass:
291.199g/mol
Monoisotopic Mass:
291.199g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
323
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

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NMR Spectrum


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