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

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

CAS: 1035266-33-1

Formula: C14H18BNO3

SMILES: COC1=CC(=CC(=C1)C#N)B1OC(C)(C)C(C)(C)O1

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

InChI: InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)11-6-10(9-16)7-12(8-11)17-5/h6-8H,1-5H3

Composition: C (64.90%), H (7.00%), B (4.17%), N (5.41%), O (18.52%)

Molar Mass: 259.11

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 259.137973
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey GBJIGXGUAVDWQS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.9
Topological Polar Surface Area 51.48
Polarizability 28.35
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1035266-33-1 $299.00-$1,063.75$299.00$1,063.75
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