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2-(4-methoxyphenyl)-2-oxoethyl 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate

2-(4-methoxyphenyl)-2-oxoethyl 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate

Formula: C26H20BrNO4

SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)C1=CC(=NC2=CC=C(Br)C=C12)C1=CC=C(C)C=C1

IUPAC: 2-(4-methoxyphenyl)-2-oxoethyl 6-bromo-2-(4-methylphenyl)quinoline-4-carboxylate

InChI: InChI=1S/C26H20BrNO4/c1-16-3-5-17(6-4-16)24-14-22(21-13-19(27)9-12-23(21)28-24)26(30)32-15-25(29)18-7-10-20(31-2)11-8-18/h3-14H,15H2,1-2H3

Composition: C (63.69%), H (4.11%), Br (16.30%), N (2.86%), O (13.05%)

Molar Mass: 490.353

Atom Count: 52

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 489.057571
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey NUJIBOILLMLKSM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 125.8
Topological Polar Surface Area 65.49
Polarizability 50.73
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 C26H20BrNO4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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