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2-chloro-7-(trifluoromethoxy)quinoline-3-carbaldehyde

2-chloro-7-(trifluoromethoxy)quinoline-3-carbaldehyde

CAS: 1254366-15-8

Formula: C11H5ClF3NO2

SMILES: FC(F)(F)OC1=CC=C2C=C(C=O)C(Cl)=NC2=C1

IUPAC: 2-chloro-7-(trifluoromethoxy)quinoline-3-carbaldehyde

InChI: InChI=1S/C11H5ClF3NO2/c12-10-7(5-17)3-6-1-2-8(4-9(6)16-10)18-11(13,14)15/h1-5H

Composition: C (47.94%), H (1.83%), Cl (12.86%), F (20.68%), N (5.08%), O (11.61%)

Molar Mass: 275.61

Atom Count: 23

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 274.9960906
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PVACEIOQUUWABM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.5
Topological Polar Surface Area 39.19
Polarizability 22.69
Ring Count 2
Rotatable Bond Count 3

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