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5-{[(6-nitroquinolin-8-yl)oxy]methyl}furan-2-carboxylic acid

5-{[(6-nitroquinolin-8-yl)oxy]methyl}furan-2-carboxylic acid

Formula: C15H10N2O6

SMILES: OC(=O)C1=CC=C(COC2=CC(=CC3=CC=CN=C23)[N+]([O-])=O)O1

IUPAC: 5-{[(6-nitroquinolin-8-yl)oxy]methyl}furan-2-carboxylic acid

InChI: InChI=1S/C15H10N2O6/c18-15(19)12-4-3-11(23-12)8-22-13-7-10(17(20)21)6-9-2-1-5-16-14(9)13/h1-7H,8H2,(H,18,19)

Composition: C (57.33%), H (3.21%), N (8.91%), O (30.55%)

Molar Mass: 314.253

Atom Count: 33

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 314.05388605
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey DOWZRUVIDAOZPK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.9
Topological Polar Surface Area 115.7
Polarizability 30.19
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H10N2O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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