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50670-50-3 | 4'-Methyl-[1,1'-biphenyl]-4-carbonitrile
CAS No: 50670-50-3 Catalog No: AG003L8Y MDL No:MFCD03703444
Product Description
Catalog Number:
AG003L8Y
Chemical Name:
4'-Methyl-[1,1'-biphenyl]-4-carbonitrile
CAS Number:
50670-50-3
Molecular Formula:
C14H11N
Molecular Weight:
193.2438
MDL Number:
MFCD03703444
IUPAC Name:
4-(4-methylphenyl)benzonitrile
InChI:
InChI=1S/C14H11N/c1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14/h2-9H,1H3
InChI Key:
QIBWMVSMTSYUSK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(cc1)C
EC Number:
256-701-9
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.249g/mol
Monoisotopic Mass:
193.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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