ethyl 5,7-difluoroquinoline-3-carboxylate

ethyl 5,7-difluoroquinoline-3-carboxylate

CAS: 1799421-13-8

Formula: C12H9F2NO2

SMILES: CCOC(=O)C1=CC2=C(F)C=C(F)C=C2N=C1

IUPAC: ethyl 5,7-difluoroquinoline-3-carboxylate

InChI: InChI=1S/C12H9F2NO2/c1-2-17-12(16)7-3-9-10(14)4-8(13)5-11(9)15-6-7/h3-6H,2H2,1H3

Composition: C (60.76%), H (3.82%), F (16.02%), N (5.90%), O (13.49%)

Molar Mass: 237.206

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	237.06013486
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZLZRYOVXPGOMBL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.19
Topological Polar Surface Area	39.19
Polarizability	22.58
Ring Count	2
Rotatable Bond Count	3

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