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5-bromo-N-(3-{1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl}phenyl)furan-2-carboxamide

5-bromo-N-(3-{1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl}phenyl)furan-2-carboxamide

Formula: C17H7BrF13NO4

SMILES: FC(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1=CC(NC(=O)C2=CC=C(Br)O2)=CC=C1

IUPAC: 5-bromo-N-(3-{1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl}phenyl)furan-2-carboxamide

InChI: InChI=1S/C17H7BrF13NO4/c18-10-5-4-9(34-10)11(33)32-8-3-1-2-7(6-8)12(19,20)14(23,24)35-15(25,26)13(21,22)16(27,28)36-17(29,30)31/h1-6H,(H,32,33)

Composition: C (33.14%), H (1.15%), Br (12.97%), F (40.09%), N (2.27%), O (10.39%)

Molar Mass: 616.129

Atom Count: 43

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 614.935087
Formal Charge 0
FSP3 0.35
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SPWCDBNAIYQNNB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 91.64
Topological Polar Surface Area 60.7
Polarizability 34.77
Ring Count 2
Rotatable Bond Count 10

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H7BrF13NO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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