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N-{[2-(6-chloropyridin-2-yl)hydrazin-1-yl]methylidene}-2,5-bis(2,2,2-trifluoroethoxy)benzamide

N-{[2-(6-chloropyridin-2-yl)hydrazin-1-yl]methylidene}-2,5-bis(2,2,2-trifluoroethoxy)benzamide

CAS: 338402-57-6

Formula: C17H13ClF6N4O3

SMILES: FC(F)(F)COC1=CC(C(=O)N=CNNC2=CC=CC(Cl)=N2)=C(OCC(F)(F)F)C=C1

IUPAC: N-{[2-(6-chloropyridin-2-yl)hydrazin-1-yl]methylidene}-2,5-bis(2,2,2-trifluoroethoxy)benzamide

InChI: InChI=1S/C17H13ClF6N4O3/c18-13-2-1-3-14(27-13)28-26-9-25-15(29)11-6-10(30-7-16(19,20)21)4-5-12(11)31-8-17(22,23)24/h1-6,9H,7-8H2,(H,27,28)(H,25,26,29)

Composition: C (43.37%), H (2.78%), Cl (7.53%), F (24.21%), N (11.90%), O (10.20%)

Molar Mass: 470.76

Atom Count: 44

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 470.058037
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey MWWBKVLSVDTCBO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.21
Topological Polar Surface Area 84.84
Polarizability 35.61
Ring Count 2
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338402-57-6 $51.35-$86.31$51.35$63.37$86.31
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