2-(benzyloxy)-5-(trifluoromethyl)pyridin-3-ylboronic acid

2-(benzyloxy)-5-(trifluoromethyl)pyridin-3-ylboronic acid

CAS: 850864-60-7

Formula: C13H11BF3NO3

SMILES: OB(O)C1=CC(=CN=C1OCC1=CC=CC=C1)C(F)(F)F

IUPAC: [2-(benzyloxy)-5-(trifluoromethyl)pyridin-3-yl]boronic acid

InChI: InChI=1S/C13H11BF3NO3/c15-13(16,17)10-6-11(14(19)20)12(18-7-10)21-8-9-4-2-1-3-5-9/h1-7,19-20H,8H2

Composition: C (52.57%), H (3.73%), B (3.64%), F (19.19%), N (4.72%), O (16.16%)

Molar Mass: 297.04

Atom Count: 32

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	297.078408
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OYAUWZJANZRGQV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.81
Topological Polar Surface Area	62.58
Polarizability	25.9
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	850864-60-7		$39.09-$640.59$39.09$68.09$172.76$640.59