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58743-76-3 | 4'-Propyl-[1,1'-biphenyl]-4-carbonitrile
CAS No: 58743-76-3 Catalog No: AG003L92 MDL No:MFCD00505987
Product Description
Catalog Number:
AG003L92
Chemical Name:
4'-Propyl-[1,1'-biphenyl]-4-carbonitrile
CAS Number:
58743-76-3
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
MDL Number:
MFCD00505987
IUPAC Name:
4-(4-propylphenyl)benzonitrile
InChI:
InChI=1S/C16H15N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h4-11H,2-3H2,1H3
InChI Key:
XFMPTZWVMVMELB-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)c1ccc(cc1)C#N
EC Number:
261-415-2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.303g/mol
Monoisotopic Mass:
221.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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