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

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

CAS: 1220219-11-3

Formula: C14H18BNO2

SMILES: CC1=CC=C(C=C1C#N)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C14H18BNO2/c1-10-6-7-12(8-11(10)9-16)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 WXENCUOINPORPY-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% <7 Days 1220219-11-3 $20.70-$46.58$20.70$46.58
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1220219-11-3 $58.65-$1,496.15$58.65$92.00$1,496.15
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