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4'-isopropoxy-[1,1'-biphenyl]-4-ylboronic acid

4'-isopropoxy-[1,1'-biphenyl]-4-ylboronic acid

CAS: 870717-98-9

Formula: C15H17BO3

SMILES: CC(C)OC1=CC=C(C=C1)C1=CC=C(C=C1)B(O)O

IUPAC: [4'-(propan-2-yloxy)-[1,1'-biphenyl]-4-yl]boronic acid

InChI: InChI=1S/C15H17BO3/c1-11(2)19-15-9-5-13(6-10-15)12-3-7-14(8-4-12)16(17)18/h3-11,17-18H,1-2H3

Composition: C (70.35%), H (6.69%), B (4.22%), O (18.74%)

Molar Mass: 256.11

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 256.127074
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NBOVAIFWBASNLS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.37
Topological Polar Surface Area 49.69
Polarizability 30.73
Ring Count 2
Rotatable Bond Count 4

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97% <5 Days 870717-98-9 $55.48-$505.66$55.48$145.02$505.66
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