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3-(1,3,2-dioxaborinan-2-yl)pyridine

3-(1,3,2-dioxaborinan-2-yl)pyridine

CAS: 131534-65-1

Formula: C8H10BNO2

SMILES: C1COB(OC1)C1=CC=CN=C1

IUPAC: 3-(1,3,2-dioxaborinan-2-yl)pyridine

InChI: InChI=1S/C8H10BNO2/c1-3-8(7-10-4-1)9-11-5-2-6-12-9/h1,3-4,7H,2,5-6H2

Composition: C (58.96%), H (6.18%), B (6.63%), N (8.59%), O (19.63%)

Molar Mass: 162.98

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 163.080459
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZUUZNOFTKGDLLN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.31
Topological Polar Surface Area 31.35
Polarizability 17.58
Ring Count 2
Rotatable Bond Count 1

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