ethyl 4-chloro-7,8-difluoroquinoline-3-carboxylate

ethyl 4-chloro-7,8-difluoroquinoline-3-carboxylate

CAS: 318685-51-7

Formula: C12H8ClF2NO2

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

IUPAC: ethyl 4-chloro-7,8-difluoroquinoline-3-carboxylate

InChI: InChI=1S/C12H8ClF2NO2/c1-2-18-12(17)7-5-16-11-6(9(7)13)3-4-8(14)10(11)15/h3-5H,2H2,1H3

Composition: C (53.06%), H (2.97%), Cl (13.05%), F (13.99%), N (5.16%), O (11.78%)

Molar Mass: 271.65

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	271.0211625
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VMKVYBOEHDTOKK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.99
Topological Polar Surface Area	39.19
Polarizability	24.55
Ring Count	2
Rotatable Bond Count	3

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