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4'-methoxy-[1,1'-biphenyl]-2-ylboronic acid

4'-methoxy-[1,1'-biphenyl]-2-ylboronic acid

Formula: C13H13BO3

SMILES: COC1=CC=C(C=C1)C1=CC=CC=C1B(O)O

IUPAC: {4'-methoxy-[1,1'-biphenyl]-2-yl}boronic acid

InChI: InChI=1S/C13H13BO3/c1-17-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14(15)16/h2-9,15-16H,1H3

Composition: C (68.47%), H (5.75%), B (4.74%), O (21.05%)

Molar Mass: 228.05

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 228.095774
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VJEUXWYNNQERFD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.2
Topological Polar Surface Area 49.69
Polarizability 27.04
Ring Count 2
Rotatable Bond Count 3

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