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5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde

CAS: 1073354-14-9

Formula: C12H16BNO3

SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=O)N=C1

IUPAC: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbaldehyde

InChI: InChI=1S/C12H16BNO3/c1-11(2)12(3,4)17-13(16-11)9-5-6-10(8-15)14-7-9/h5-8H,1-4H3

Composition: C (61.84%), H (6.92%), B (4.64%), N (6.01%), O (20.59%)

Molar Mass: 233.07

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.122323
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey FCWAOWVIYGJOPZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.75
Topological Polar Surface Area 48.42
Polarizability 25.01
Ring Count 2
Rotatable Bond Count 2

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