ethyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzoate

ethyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzoate

CAS: 105626-86-6

Formula: C15H11ClF3NO3

SMILES: CCOC(=O)C1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1

IUPAC: ethyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzoate

InChI: InChI=1S/C15H11ClF3NO3/c1-2-22-14(21)9-3-5-11(6-4-9)23-13-12(16)7-10(8-20-13)15(17,18)19/h3-8H,2H2,1H3

Composition: C (52.12%), H (3.21%), Cl (10.25%), F (16.49%), N (4.05%), O (13.88%)

Molar Mass: 345.7

Atom Count: 34

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	345.0379554
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	TUPASNXVBALDOQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.01
Topological Polar Surface Area	48.42
Polarizability	29.2
Ring Count	2
Rotatable Bond Count	6

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