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[2-(ethoxycarbonyl)phenyl]zincylium bromide

[2-(ethoxycarbonyl)phenyl]zincylium bromide

CAS: 131379-40-3

Formula: C9H9BrO2Zn

SMILES: [Br-].CCOC(=O)C1=CC=CC=C1[Zn+]

IUPAC: [2-(ethoxycarbonyl)phenyl]zincylium bromide

InChI: InChI=1S/C9H9O2.BrH.Zn/c1-2-11-9(10)8-6-4-3-5-7-8;;/h3-6H,2H2,1H3;1H;/q;;+1/p-1

Composition: C (36.71%), H (3.08%), Br (27.14%), O (10.87%), Zn (22.20%)

Molar Mass: 294.45

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 291.907735
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XOFOTLKSCXXHTH-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 42.25
Topological Polar Surface Area 26.3
Polarizability 19.54
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 131379-40-3 $515.20-$870.55$515.20$870.55
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