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4-(4-chloro-2-fluorophenoxy)phenylboronic acid

4-(4-chloro-2-fluorophenoxy)phenylboronic acid

CAS: 1256358-57-2

Formula: C12H9BClFO3

SMILES: OB(O)C1=CC=C(OC2=CC=C(Cl)C=C2F)C=C1

IUPAC: [4-(4-chloro-2-fluorophenoxy)phenyl]boronic acid

InChI: InChI=1S/C12H9BClFO3/c14-9-3-6-12(11(15)7-9)18-10-4-1-8(2-5-10)13(16)17/h1-7,16-17H

Composition: C (54.09%), H (3.40%), B (4.06%), Cl (13.30%), F (7.13%), O (18.01%)

Molar Mass: 266.46

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 266.03173
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey UQQJHJBZZCELBT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.87
Topological Polar Surface Area 49.69
Polarizability 25.44
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1256358-57-2 $626.75-$1,305.25$626.75$1,305.25
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