ethyl 8-chloro-6-fluoro-4-hydroxyquinoline-3-carboxylate

ethyl 8-chloro-6-fluoro-4-hydroxyquinoline-3-carboxylate

CAS: 338795-20-3

Formula: C12H9ClFNO3

SMILES: CCOC(=O)C1=C(O)C2=CC(F)=CC(Cl)=C2N=C1

IUPAC: ethyl 8-chloro-6-fluoro-4-hydroxyquinoline-3-carboxylate

InChI: InChI=1S/C12H9ClFNO3/c1-2-18-12(17)8-5-15-10-7(11(8)16)3-6(14)4-9(10)13/h3-5H,2H2,1H3,(H,15,16)

Composition: C (53.45%), H (3.36%), Cl (13.15%), F (7.05%), N (5.19%), O (17.80%)

Molar Mass: 269.66

Atom Count: 27

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	269.025499
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RUIPKHCGIJWJSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.76
Topological Polar Surface Area	59.42
Polarizability	25.44
Ring Count	2
Rotatable Bond Count	3

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90%	<2 Days	338795-20-3		$51.35-$524.40$51.35$63.37$86.31$524.40