3-fluoro-4-(trifluoromethoxy)phenylboronic acid

3-fluoro-4-(trifluoromethoxy)phenylboronic acid

CAS: 187804-79-1

Formula: C7H5BF4O3

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

IUPAC: [3-fluoro-4-(trifluoromethoxy)phenyl]boronic acid

InChI: InChI=1S/C7H5BF4O3/c9-5-3-4(8(13)14)1-2-6(5)15-7(10,11)12/h1-3,13-14H

Composition: C (37.55%), H (2.25%), B (4.83%), F (33.94%), O (21.44%)

Molar Mass: 223.92

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.026787
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VDEVIIGZNWVCOR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.89
Topological Polar Surface Area	49.69
Polarizability	15.52
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	187804-79-1		$36.47-$653.57$36.47$137.45$261.80$653.57

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	187804-79-1		$15.53-$820.76$15.53$20.70$59.00$201.83$385.02$820.76

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	187804-79-1		$34.50-$722.20$34.50$51.75$219.65$423.20$722.20

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	187804-79-1		$517.00-$1,070.00$517.00$702.00$1,070.00

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	187804-79-1		$45.40-$81.97$45.40$81.97