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501378-52-5 | 2-(Benzyloxy)isonicotinonitrile
CAS No: 501378-52-5 Catalog No: AG003EZE MDL No:MFCD09928045
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
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