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2-(4-nitrophenyl)-2-oxoethyl 8-methyl-2-phenylquinoline-4-carboxylate

2-(4-nitrophenyl)-2-oxoethyl 8-methyl-2-phenylquinoline-4-carboxylate

Formula: C25H18N2O5

SMILES: CC1=C2N=C(C=C(C(=O)OCC(=O)C3=CC=C(C=C3)[N+]([O-])=O)C2=CC=C1)C1=CC=CC=C1

IUPAC: 2-(4-nitrophenyl)-2-oxoethyl 8-methyl-2-phenylquinoline-4-carboxylate

InChI: InChI=1S/C25H18N2O5/c1-16-6-5-9-20-21(14-22(26-24(16)20)17-7-3-2-4-8-17)25(29)32-15-23(28)18-10-12-19(13-11-18)27(30)31/h2-14H,15H2,1H3

Composition: C (70.42%), H (4.25%), N (6.57%), O (18.76%)

Molar Mass: 426.428

Atom Count: 50

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 426.121571688
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey VDZWJCLHPKSRBX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 118.03
Topological Polar Surface Area 99.4
Polarizability 47.43
Ring Count 4
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H18N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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