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2-[4-(benzyloxy)phenyl]propanenitrile

2-[4-(benzyloxy)phenyl]propanenitrile

CAS: 211315-09-2

Formula: C16H15NO

SMILES: CC(C#N)C1=CC=C(OCC2=CC=CC=C2)C=C1

IUPAC: 2-[4-(benzyloxy)phenyl]propanenitrile

InChI: InChI=1/C16H15NO/c1-13(11-17)15-7-9-16(10-8-15)18-12-14-5-3-2-4-6-14/h2-10,13H,12H2,1H3

Composition: C (80.98%), H (6.37%), N (5.90%), O (6.74%)

Molar Mass: 237.302

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 237.115364107
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KQGDCSYLYCAHNL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 72
Topological Polar Surface Area 33.02
Polarizability 27.83
Ring Count 2
Rotatable Bond Count 4

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97% <2 Days 211315-09-2 $235.75$235.75
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