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(2E)-2-cyano-3-(4,5-dibromofuran-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

(2E)-2-cyano-3-(4,5-dibromofuran-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

Formula: C16H12Br2N2O3

SMILES: COC1=CC=C(CNC(=O)C(=CC2=CC(Br)=C(Br)O2)C#N)C=C1

IUPAC: (2E)-2-cyano-3-(4,5-dibromofuran-2-yl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide

InChI: InChI=1S/C16H12Br2N2O3/c1-22-12-4-2-10(3-5-12)9-20-16(21)11(8-19)6-13-7-14(17)15(18)23-13/h2-7H,9H2,1H3,(H,20,21)/b11-6+

Composition: C (43.67%), H (2.75%), Br (36.31%), N (6.37%), O (10.91%)

Molar Mass: 440.091

Atom Count: 35

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 437.921468
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey STQSVTTZFFYFRP-IZZDOVSWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.33
Topological Polar Surface Area 75.26
Polarizability 35.25
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H12Br2N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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