Home Nitriles 2-(Benzyloxy)isonicotinonitrile

2-(Benzyloxy)isonicotinonitrile

CAS No.:
501378-52-5
Catalog Number:
AG003EZE
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
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Product Description
Catalog Number:
AG003EZE
Chemical Name:
2-(Benzyloxy)isonicotinonitrile
CAS Number:
501378-52-5
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
MDL Number:
MFCD09928045
IUPAC Name:
2-phenylmethoxypyridine-4-carbonitrile
InChI:
InChI=1S/C13H10N2O/c14-9-12-6-7-15-13(8-12)16-10-11-4-2-1-3-5-11/h1-8H,10H2
InChI Key:
KYMIUUVPYRKLMC-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)OCc1ccccc1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties