6-(trifluoromethyl)naphthalen-1-ylboronic acid

6-(trifluoromethyl)naphthalen-1-ylboronic acid

CAS: 2408429-89-8

Formula: C11H8BF3O2

SMILES: OB(O)C1=CC=CC2=CC(=CC=C12)C(F)(F)F

IUPAC: [6-(trifluoromethyl)naphthalen-1-yl]boronic acid

InChI: InChI=1S/C11H8BF3O2/c13-11(14,15)8-4-5-9-7(6-8)2-1-3-10(9)12(16)17/h1-6,16-17H

Composition: C (55.05%), H (3.36%), B (4.50%), F (23.75%), O (13.33%)

Molar Mass: 239.99

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	240.056944
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	OFZTXHUDTQVBKV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.03
Topological Polar Surface Area	40.46
Polarizability	22.03
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	2408429-89-8		$286.35-$6,877.00$286.35$457.70$687.70$1,127.00$1,817.00$6,877.00