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ethyl 2-[3-(trifluoromethyl)phenoxy]acetate

ethyl 2-[3-(trifluoromethyl)phenoxy]acetate

CAS: 22897-99-0

Formula: C11H11F3O3

SMILES: CCOC(=O)COC1=CC=CC(=C1)C(F)(F)F

IUPAC: ethyl 2-[3-(trifluoromethyl)phenoxy]acetate

InChI: InChI=1S/C11H11F3O3/c1-2-16-10(15)7-17-9-5-3-4-8(6-9)11(12,13)14/h3-6H,2,7H2,1H3

Composition: C (53.23%), H (4.47%), F (22.96%), O (19.34%)

Molar Mass: 248.201

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.066028703
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LEKNNERDFCDITP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.1
Topological Polar Surface Area 35.53
Polarizability 20.41
Ring Count 1
Rotatable Bond Count 6

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