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4-chloro-8-methoxy-2-(trifluoromethyl)quinoline

4-chloro-8-methoxy-2-(trifluoromethyl)quinoline

CAS: 41192-89-6

Formula: C11H7ClF3NO

SMILES: COC1=CC=CC2=C(Cl)C=C(N=C12)C(F)(F)F

IUPAC: 4-chloro-8-methoxy-2-(trifluoromethyl)quinoline

InChI: InChI=1S/C11H7ClF3NO/c1-17-8-4-2-3-6-7(12)5-9(11(13,14)15)16-10(6)8/h2-5H,1H3

Composition: C (50.50%), H (2.70%), Cl (13.55%), F (21.78%), N (5.35%), O (6.12%)

Molar Mass: 261.63

Atom Count: 24

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 261.016826
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CIUAHBMLDPHHPA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.85
Topological Polar Surface Area 22.12
Polarizability 22.46
Ring Count 2
Rotatable Bond Count 2

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