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4-{[2-(trifluoromethyl)pyridin-4-yl]oxy}aniline

4-{[2-(trifluoromethyl)pyridin-4-yl]oxy}aniline

CAS: 630125-71-2

Formula: C12H9F3N2O

SMILES: NC1=CC=C(OC2=CC=NC(=C2)C(F)(F)F)C=C1

IUPAC: 4-{[2-(trifluoromethyl)pyridin-4-yl]oxy}aniline

InChI: InChI=1S/C12H9F3N2O/c13-12(14,15)11-7-10(5-6-17-11)18-9-3-1-8(16)2-4-9/h1-7H,16H2

Composition: C (56.70%), H (3.57%), F (22.42%), N (11.02%), O (6.29%)

Molar Mass: 254.212

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.066697407
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HCMGGNYWVPXPBC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.44
Topological Polar Surface Area 48.14
Polarizability 22.02
Ring Count 2
Rotatable Bond Count 3

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