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[2-(trifluoromethyl)pyridin-4-yl]acetic acid

[2-(trifluoromethyl)pyridin-4-yl]acetic acid

CAS: 1008737-00-5

Formula: C8H6F3NO2

SMILES: OC(=O)CC1=CC(=NC=C1)C(F)(F)F

IUPAC: 2-[2-(trifluoromethyl)pyridin-4-yl]acetic acid

InChI: InChI=1S/C8H6F3NO2/c9-8(10,11)6-3-5(1-2-12-6)4-7(13)14/h1-3H,4H2,(H,13,14)

Composition: C (46.84%), H (2.95%), F (27.78%), N (6.83%), O (15.60%)

Molar Mass: 205.136

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.035062926
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RLWKWLRQVHPBDQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.81
Topological Polar Surface Area 50.19
Polarizability 15.07
Ring Count 1
Rotatable Bond Count 3

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