2-[4-(benzyloxy)phenyl]acetonitrile

2-[4-(benzyloxy)phenyl]acetonitrile

CAS: 838-96-0

Formula: C15H13NO

SMILES: N#CCC1=CC=C(OCC2=CC=CC=C2)C=C1

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

InChI: InChI=1S/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2

Composition: C (80.69%), H (5.87%), N (6.27%), O (7.17%)

Molar Mass: 223.275

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	223.099714043
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QKEYZRVDFZDOEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.42
Topological Polar Surface Area	33.02
Polarizability	25.98
Ring Count	2
Rotatable Bond Count	4

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