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2-(trifluoromethyl)quinoline-6-carboxylic acid

2-(trifluoromethyl)quinoline-6-carboxylic acid

CAS: 952182-51-3

Formula: C11H6F3NO2

SMILES: OC(=O)C1=CC2=CC=C(N=C2C=C1)C(F)(F)F

IUPAC: 2-(trifluoromethyl)quinoline-6-carboxylic acid

InChI: InChI=1S/C11H6F3NO2/c12-11(13,14)9-4-2-6-5-7(10(16)17)1-3-8(6)15-9/h1-5H,(H,16,17)

Composition: C (54.78%), H (2.51%), F (23.63%), N (5.81%), O (13.27%)

Molar Mass: 241.169

Atom Count: 23

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 241.035062926
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey PDWMUXHPWPBHDJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.84
Topological Polar Surface Area 50.19
Polarizability 20.4
Ring Count 2
Rotatable Bond Count 2

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