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4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS: 863868-22-8

Formula: C14H18BNO2

SMILES: CC1=CC=C(C#N)C(=C1)B1OC(C)(C)C(C)(C)O1

IUPAC: 4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

InChI: InChI=1S/C14H18BNO2/c1-10-6-7-11(9-16)12(8-10)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3

Composition: C (69.17%), H (7.46%), B (4.45%), N (5.76%), O (13.16%)

Molar Mass: 243.11

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 243.143059
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey WJDTUXBXJIUSRQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.48
Topological Polar Surface Area 42.25
Polarizability 27.6
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 863868-22-8 $132.25-$1,370.80$132.25$143.75$171.35$224.25$339.25$1,370.80
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