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3-(benzyloxy)-2,6-difluorophenylboronic acid

3-(benzyloxy)-2,6-difluorophenylboronic acid

CAS: 870718-07-3

Formula: C13H11BF2O3

SMILES: OB(O)C1=C(F)C=CC(OCC2=CC=CC=C2)=C1F

IUPAC: [3-(benzyloxy)-2,6-difluorophenyl]boronic acid

InChI: InChI=1S/C13H11BF2O3/c15-10-6-7-11(13(16)12(10)14(17)18)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2

Composition: C (59.14%), H (4.20%), B (4.09%), F (14.39%), O (18.18%)

Molar Mass: 264.03

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 264.076931
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MUKMMBLTLNKOAC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.11
Topological Polar Surface Area 49.69
Polarizability 25.03
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
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