2-methoxy-6-(trifluoromethyl)phenylboronic acid

2-methoxy-6-(trifluoromethyl)phenylboronic acid

CAS: 1310384-19-0

Formula: C8H8BF3O3

SMILES: COC1=CC=CC(=C1B(O)O)C(F)(F)F

IUPAC: [2-methoxy-6-(trifluoromethyl)phenyl]boronic acid

InChI: InChI=1S/C8H8BF3O3/c1-15-6-4-2-3-5(8(10,11)12)7(6)9(13)14/h2-4,13-14H,1H3

Composition: C (43.69%), H (3.67%), B (4.91%), F (25.91%), O (21.82%)

Molar Mass: 219.95

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.051859
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NCTLQYZNASYUIW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.04
Topological Polar Surface Area	49.69
Polarizability	17.35
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	1310384-19-0		$55.89-$695.52$55.89$102.47$241.16$695.52

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<6 Days	1310384-19-0		$103.50-$594.55$103.50$594.55

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1310384-19-0		$287.51-$670.85$287.51$670.85