2-(benzyloxy)-5-bromobenzonitrile

2-(benzyloxy)-5-bromobenzonitrile

CAS: 835898-37-8

Formula: C14H10BrNO

SMILES: BrC1=CC=C(OCC2=CC=CC=C2)C(=C1)C#N

IUPAC: 2-(benzyloxy)-5-bromobenzonitrile

InChI: InChI=1S/C14H10BrNO/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11/h1-8H,10H2

Composition: C (58.36%), H (3.50%), Br (27.73%), N (4.86%), O (5.55%)

Molar Mass: 288.144

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	286.994577
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PEIVFKIPZRHNDR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.48
Topological Polar Surface Area	33.02
Polarizability	26.98
Ring Count	2
Rotatable Bond Count	3

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98%	<2 Days	835898-37-8		$143.75-$2,290.80$143.75$171.35$228.85$343.85$572.70$2,290.80