ethyl 4-bromo-6-fluoroquinoline-3-carboxylate

ethyl 4-bromo-6-fluoroquinoline-3-carboxylate

CAS: 1242260-48-5

Formula: C12H9BrFNO2

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

IUPAC: ethyl 4-bromo-6-fluoroquinoline-3-carboxylate

InChI: InChI=1S/C12H9BrFNO2/c1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h3-6H,2H2,1H3

Composition: C (48.35%), H (3.04%), Br (26.80%), F (6.37%), N (4.70%), O (10.73%)

Molar Mass: 298.111

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	296.98007
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LTRNAUFYDOWTMH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.59
Topological Polar Surface Area	39.19
Polarizability	25.72
Ring Count	2
Rotatable Bond Count	3

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