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61469-71-4 | 4-(2-cyano-phenylethenyl)benzonitrile
CAS No: 61469-71-4 Catalog No: AG003JZM MDL No:
Product Description
Catalog Number:
AG003JZM
Chemical Name:
4-(2-cyano-phenylethenyl)benzonitrile
CAS Number:
61469-71-4
Molecular Formula:
C16H10N2
Molecular Weight:
230.2640
IUPAC Name:
2-[2-(4-cyanophenyl)ethenyl]benzonitrile
InChI:
InChI=1S/C16H10N2/c17-11-14-7-5-13(6-8-14)9-10-15-3-1-2-4-16(15)12-18/h1-10H
InChI Key:
FVENBNYAMBDRRJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C=Cc1ccccc1C#N
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.27g/mol
Monoisotopic Mass:
230.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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