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(2E)-2-cyano-3-(furan-2-yl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

(2E)-2-cyano-3-(furan-2-yl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

Formula: C15H11N3O5

SMILES: COC1=CC=C(C=C1NC(=O)C(=CC1=CC=CO1)C#N)[N+]([O-])=O

IUPAC: (2E)-2-cyano-3-(furan-2-yl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide

InChI: InChI=1S/C15H11N3O5/c1-22-14-5-4-11(18(20)21)8-13(14)17-15(19)10(9-16)7-12-3-2-6-23-12/h2-8H,1H3,(H,17,19)/b10-7+

Composition: C (57.51%), H (3.54%), N (13.41%), O (25.54%)

Molar Mass: 313.269

Atom Count: 34

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 313.069870466
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey JYMBVOLRTYGIBB-JXMROGBWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.57
Topological Polar Surface Area 118.4
Polarizability 29.45
Ring Count 2
Rotatable Bond Count 5

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H11N3O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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