6-(trifluoromethoxy)quinoline-3-carboxylic acid

6-(trifluoromethoxy)quinoline-3-carboxylic acid

CAS: 2002471-85-2

Formula: C11H6F3NO3

SMILES: OC(=O)C1=CC2=CC(OC(F)(F)F)=CC=C2N=C1

IUPAC: 6-(trifluoromethoxy)quinoline-3-carboxylic acid

InChI: InChI=1S/C11H6F3NO3/c12-11(13,14)18-8-1-2-9-6(4-8)3-7(5-15-9)10(16)17/h1-5H,(H,16,17)

Composition: C (51.38%), H (2.35%), F (22.16%), N (5.45%), O (18.66%)

Molar Mass: 257.168

Atom Count: 24

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	257.029977546
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FXAYHXCPPWZKMQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.31
Topological Polar Surface Area	59.42
Polarizability	21.18
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	2002471-85-2		$302.64-$1,359.36$302.64$440.09$1,359.36