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8-(trifluoromethyl)quinoline-3-carboxylic acid

8-(trifluoromethyl)quinoline-3-carboxylic acid

CAS: 31588-79-1

Formula: C11H6F3NO2

SMILES: OC(=O)C1=CC2=CC=CC(=C2N=C1)C(F)(F)F

IUPAC: 8-(trifluoromethyl)quinoline-3-carboxylic acid

InChI: InChI=1S/C11H6F3NO2/c12-11(13,14)8-3-1-2-6-4-7(10(16)17)5-15-9(6)8/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 SFGJRDPCPWCNMJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.21
Topological Polar Surface Area 50.19
Polarizability 20.41
Ring Count 2
Rotatable Bond Count 2

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