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N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(2,4,5-trichlorophenoxy)acetohydrazide

N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(2,4,5-trichlorophenoxy)acetohydrazide

Formula: C16H10Cl3N3O6

SMILES: [O-][N+](=O)C1=CC2=C(OCO2)C=C1C=NNC(=O)COC1=CC(Cl)=C(Cl)C=C1Cl

IUPAC: N'-[(E)-(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-2-(2,4,5-trichlorophenoxy)acetohydrazide

InChI: InChI=1S/C16H10Cl3N3O6/c17-9-2-11(19)13(3-10(9)18)26-6-16(23)21-20-5-8-1-14-15(28-7-27-14)4-12(8)22(24)25/h1-5H,6-7H2,(H,21,23)/b20-5+

Composition: C (43.03%), H (2.26%), Cl (23.81%), N (9.41%), O (21.49%)

Molar Mass: 446.62

Atom Count: 38

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 444.9635182
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey ZGTOCTBKFACHKU-DENHBWNVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.03
Topological Polar Surface Area 112.29
Polarizability 38.42
Ring Count 3
Rotatable Bond Count 6

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Purity (%)
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Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H10Cl3N3O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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