Home Nitriles 4,4'-biphenyldiacetonitrile

4,4'-biphenyldiacetonitrile

CAS No.:
7255-83-6
Catalog Number:
AG005R3U
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
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Product Description
Catalog Number:
AG005R3U
Chemical Name:
4,4'-biphenyldiacetonitrile
CAS Number:
7255-83-6
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
IUPAC Name:
2-[4-[4-(cyanomethyl)phenyl]phenyl]acetonitrile
InChI:
InChI=1S/C16H12N2/c17-11-9-13-1-5-15(6-2-13)16-7-3-14(4-8-16)10-12-18/h1-8H,9-10H2
InChI Key:
GICPRLWIFVXEPU-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)c1ccc(cc1)CC#N
NSC Number:
74108
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties