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2-(2,2,2-trifluoroethoxy)pyridine-3-carbaldehyde

2-(2,2,2-trifluoroethoxy)pyridine-3-carbaldehyde

CAS: 902837-51-8

Formula: C8H6F3NO2

SMILES: FC(F)(F)COC1=NC=CC=C1C=O

IUPAC: 2-(2,2,2-trifluoroethoxy)pyridine-3-carbaldehyde

InChI: InChI=1S/C8H6F3NO2/c9-8(10,11)5-14-7-6(4-13)2-1-3-12-7/h1-4H,5H2

Composition: C (46.84%), H (2.95%), F (27.78%), N (6.83%), O (15.60%)

Molar Mass: 205.136

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 205.035062926
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BHCQHUHAUPAYCW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.71
Topological Polar Surface Area 39.19
Polarizability 15.27
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 902837-51-8 $36.57-$158.89$36.57$60.53$158.89
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