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58743-75-2 | 4'-Ethyl-[1,1'-biphenyl]-4-carbonitrile
CAS No: 58743-75-2 Catalog No: AG003L8X MDL No:MFCD00799420
Product Description
Catalog Number:
AG003L8X
Chemical Name:
4'-Ethyl-[1,1'-biphenyl]-4-carbonitrile
CAS Number:
58743-75-2
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
MDL Number:
MFCD00799420
IUPAC Name:
4-(4-ethylphenyl)benzonitrile
InChI:
InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3
InChI Key:
DLLIPJSMDJCZRF-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1ccc(cc1)C#N
EC Number:
261-414-7
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.276g/mol
Monoisotopic Mass:
207.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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