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2-(2,4-dichlorophenyl)-2-oxoethyl 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

2-(2,4-dichlorophenyl)-2-oxoethyl 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Formula: C26H18Cl3NO3

SMILES: CC1=CC=C(C=C1)C1=NC2=CC=C(Cl)C=C2C(C(=O)OCC(=O)C2=CC=C(Cl)C=C2Cl)=C1C

IUPAC: 2-(2,4-dichlorophenyl)-2-oxoethyl 6-chloro-3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

InChI: InChI=1S/C26H18Cl3NO3/c1-14-3-5-16(6-4-14)25-15(2)24(20-11-17(27)8-10-22(20)30-25)26(32)33-13-23(31)19-9-7-18(28)12-21(19)29/h3-12H,13H2,1-2H3

Composition: C (62.61%), H (3.64%), Cl (21.32%), N (2.81%), O (9.62%)

Molar Mass: 498.78

Atom Count: 51

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 497.0352265
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RQEBAXSXHRGBLJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 131.17
Topological Polar Surface Area 56.26
Polarizability 52.94
Ring Count 4
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H18Cl3NO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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