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tert-butyl 4-[2,2,2-trifluoro-1-(hydroxyimino)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2,2,2-trifluoro-1-(hydroxyimino)ethyl]piperidine-1-carboxylate

CAS: 1313739-03-5

Formula: C12H19F3N2O3

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=NO)C(F)(F)F

IUPAC: tert-butyl 4-[2,2,2-trifluoro-1-(hydroxyimino)ethyl]piperidine-1-carboxylate

InChI: InChI=1S/C12H19F3N2O3/c1-11(2,3)20-10(18)17-6-4-8(5-7-17)9(16-19)12(13,14)15/h8,19H,4-7H2,1-3H3

Composition: C (48.65%), H (6.46%), F (19.24%), N (9.45%), O (16.20%)

Molar Mass: 296.29

Atom Count: 39

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 296.134776969
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BEDQXXYBOFAGNO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.45
Topological Polar Surface Area 62.13
Polarizability 24.95
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <8 Days 1313739-03-5 $340.00-$4,896.00$340.00$1,020.00$1,632.00$3,060.00$4,896.00
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