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6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid

6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid

CAS: 137640-84-7

Formula: C13H8F3NO3

SMILES: OC(=O)C1=CC=CC(OC2=CC=CC(=C2)C(F)(F)F)=N1

IUPAC: 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid

InChI: InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-6-2-5-10(17-11)12(18)19/h1-7H,(H,18,19)

Composition: C (55.13%), H (2.85%), F (20.12%), N (4.95%), O (16.95%)

Molar Mass: 283.206

Atom Count: 28

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 283.045627611
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LFRASJXUIQMIMC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.31
Topological Polar Surface Area 59.42
Polarizability 23.36
Ring Count 2
Rotatable Bond Count 4

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