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1227606-86-1

1227606-86-1 | 2-Pyridineacetonitrile, 5-phenyl-

CAS No: 1227606-86-1 Catalog No: AG000JEI MDL No:

Product Description

Catalog Number:
AG000JEI
Chemical Name:
2-Pyridineacetonitrile, 5-phenyl-
CAS Number:
1227606-86-1
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
2-(5-phenylpyridin-2-yl)acetonitrile
InChI:
InChI=1S/C13H10N2/c14-9-8-13-7-6-12(10-15-13)11-4-2-1-3-5-11/h1-7,10H,8H2
InChI Key:
STRHFXTYQBHAAI-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cn1)c1ccccc1

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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