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6-chloro-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

6-chloro-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

Formula: C8H5ClF3NO3

SMILES: OC(=O)C1=NC(Cl)=C(OCC(F)(F)F)C=C1

IUPAC: 6-chloro-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid

InChI: InChI=1S/C8H5ClF3NO3/c9-6-5(16-3-8(10,11)12)2-1-4(13-6)7(14)15/h1-2H,3H2,(H,14,15)

Composition: C (37.60%), H (1.97%), Cl (13.87%), F (22.30%), N (5.48%), O (18.78%)

Molar Mass: 255.58

Atom Count: 21

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 254.9910052
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WZTGMRHCVLRAEZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.56
Topological Polar Surface Area 59.42
Polarizability 17.95
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime Formula UnitPrice
98% <10 Days C8H5ClF3NO3 Quote Only