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3,4,5-trifluorophenylboronic acid

3,4,5-trifluorophenylboronic acid

CAS: 143418-49-9

Formula: C6H4BF3O2

SMILES: OB(O)C1=CC(F)=C(F)C(F)=C1

IUPAC: (3,4,5-trifluorophenyl)boronic acid

InChI: InChI=1S/C6H4BF3O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,11-12H

Composition: C (40.97%), H (2.29%), B (6.15%), F (32.40%), O (18.19%)

Molar Mass: 175.9

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 176.025644
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey UHDDEIOYXFXNNJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.25
Topological Polar Surface Area 40.46
Polarizability 12.92
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
99.83% <7 Days 143418-49-9 $5.61-$204.77$5.61$44.88$204.77
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95% <6 Days 143418-49-9 $3.45-$228.85$3.45$4.60$5.75$12.65$47.15$228.85
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95% <7 Days 143418-49-9 $5.18-$45.54$5.18$6.21$7.25$14.49$45.54
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