2,6-difluoro-4-(trifluoromethyl)phenylboronic acid

2,6-difluoro-4-(trifluoromethyl)phenylboronic acid

CAS: 2250114-85-1

Formula: C7H4BF5O2

SMILES: OB(O)C1=C(F)C=C(C=C1F)C(F)(F)F

IUPAC: [2,6-difluoro-4-(trifluoromethyl)phenyl]boronic acid

InChI: InChI=1S/C7H4BF5O2/c9-4-1-3(7(11,12)13)2-5(10)6(4)8(14)15/h1-2,14-15H

Composition: C (37.22%), H (1.78%), B (4.79%), F (42.05%), O (14.16%)

Molar Mass: 225.91

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.02245
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	YTTXYOCVMQZDDY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.01
Topological Polar Surface Area	40.46
Polarizability	14.68
Ring Count	1
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	2250114-85-1		$51.35-$86.31$51.35$63.37$86.31