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6-(benzyloxy)pyridin-3-ylboronic acid

6-(benzyloxy)pyridin-3-ylboronic acid

CAS: 929250-35-1

Formula: C12H12BNO3

SMILES: OB(O)C1=CC=C(OCC2=CC=CC=C2)N=C1

IUPAC: [6-(benzyloxy)pyridin-3-yl]boronic acid

InChI: InChI=1S/C12H12BNO3/c15-13(16)11-6-7-12(14-8-11)17-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2

Composition: C (62.93%), H (5.28%), B (4.72%), N (6.12%), O (20.96%)

Molar Mass: 229.04

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 229.091023
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CUZOGAUUSKBDAO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.84
Topological Polar Surface Area 62.58
Polarizability 24.75
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <5 Days 929250-35-1 $30.26-$817.13$30.26$68.09$196.72$817.13
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