4-(4-bromophenoxy)benzonitrile

4-(4-bromophenoxy)benzonitrile

CAS: 330792-93-3

Formula: C13H8BrNO

SMILES: BrC1=CC=C(OC2=CC=C(C=C2)C#N)C=C1

IUPAC: 4-(4-bromophenoxy)benzonitrile

InChI: InChI=1S/C13H8BrNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H

Composition: C (56.96%), H (2.94%), Br (29.15%), N (5.11%), O (5.84%)

Molar Mass: 274.117

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	272.978927
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RXRIGCPVWWYVQV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.64
Topological Polar Surface Area	33.02
Polarizability	25.21
Ring Count	2
Rotatable Bond Count	2

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