methyl 3-(trifluoromethyl)quinoline-8-carboxylate

methyl 3-(trifluoromethyl)quinoline-8-carboxylate

Formula: C12H8F3NO2

SMILES: COC(=O)C1=CC=CC2=CC(=CN=C12)C(F)(F)F

IUPAC: methyl 3-(trifluoromethyl)quinoline-8-carboxylate

InChI: InChI=1S/C12H8F3NO2/c1-18-11(17)9-4-2-3-7-5-8(12(13,14)15)6-16-10(7)9/h2-6H,1H3

Composition: C (56.48%), H (3.16%), F (22.33%), N (5.49%), O (12.54%)

Molar Mass: 255.196

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	255.050712991
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IAEOPFSZAMDKFK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.98
Topological Polar Surface Area	39.19
Polarizability	22.45
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H8F3NO2		Quote Only