4-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile

4-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile

CAS: 114772-54-2

Formula: C14H10BrN

SMILES: BrCC1=CC(C#N)=C(C=C1)C1=CC=CC=C1

IUPAC: 4-(bromomethyl)-[1,1'-biphenyl]-2-carbonitrile

InChI: InChI=1S/C14H10BrN/c15-9-11-6-7-14(13(8-11)10-16)12-4-2-1-3-5-12/h1-8H,9H2

Composition: C (61.79%), H (3.70%), Br (29.36%), N (5.15%)

Molar Mass: 272.145

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	270.999662
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LQPCAPMUDDPGHJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.77
Topological Polar Surface Area	23.79
Polarizability	27.49
Ring Count	2
Rotatable Bond Count	2

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