bromo[(2-cyanophenyl)methyl]zinc

bromo[(2-cyanophenyl)methyl]zinc

CAS: 199465-66-2

Formula: C8H6BrNZn

SMILES: Br[Zn]CC1=CC=CC=C1C#N

IUPAC: bromo[(2-cyanophenyl)methyl]zinc

InChI: InChI=1S/C8H6N.BrH.Zn/c1-7-4-2-3-5-8(7)6-9;;/h2-5H,1H2;1H;/q;;+1/p-1

Composition: C (36.76%), H (2.31%), Br (30.56%), N (5.36%), Zn (25.01%)

Molar Mass: 261.43

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.897504
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LQRNYQAXNZETFP-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	44.82
Topological Polar Surface Area	23.79
Polarizability	20.12
Ring Count	1
Rotatable Bond Count	2

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