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methyl 2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]acetate

methyl 2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]acetate

CAS: 187327-30-6

Formula: C16H14F3NO3

SMILES: COC(=O)CC1=CC=CC=C1COC1=CC=CC(=N1)C(F)(F)F

IUPAC: methyl 2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]acetate

InChI: InChI=1S/C16H14F3NO3/c1-22-15(21)9-11-5-2-3-6-12(11)10-23-14-8-4-7-13(20-14)16(17,18)19/h2-8H,9-10H2,1H3

Composition: C (59.08%), H (4.34%), F (17.52%), N (4.31%), O (14.76%)

Molar Mass: 325.287

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 325.092577804
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JWBZOKQQKRJKNS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.97
Topological Polar Surface Area 48.42
Polarizability 28.97
Ring Count 2
Rotatable Bond Count 7

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