4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzoic acid

4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzoic acid

CAS: 773108-67-1

Formula: C13H8F3NO3

SMILES: OC(=O)C1=CC=C(OC2=NC=C(C=C2)C(F)(F)F)C=C1

IUPAC: 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzoic acid

InChI: InChI=1S/C13H8F3NO3/c14-13(15,16)9-3-6-11(17-7-9)20-10-4-1-8(2-5-10)12(18)19/h1-7H,(H,18,19)

Composition: C (55.13%), H (2.85%), F (20.12%), N (4.95%), O (16.95%)

Molar Mass: 283.206

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	283.045627611
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	CCNGYKFALZVXHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.69
Topological Polar Surface Area	59.42
Polarizability	23.35
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	773108-67-1		$51.35-$524.40$51.35$63.37$86.31$524.40