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2-(4-methylphenyl)-2-oxoethyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate

2-(4-methylphenyl)-2-oxoethyl 6-chloro-2-(4-methylphenyl)quinoline-4-carboxylate

Formula: C26H20ClNO3

SMILES: CC1=CC=C(C=C1)C(=O)COC(=O)C1=CC(=NC2=CC=C(Cl)C=C12)C1=CC=C(C)C=C1

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

InChI: InChI=1S/C26H20ClNO3/c1-16-3-7-18(8-4-16)24-14-22(21-13-20(27)11-12-23(21)28-24)26(30)31-15-25(29)19-9-5-17(2)6-10-19/h3-14H,15H2,1-2H3

Composition: C (72.64%), H (4.69%), Cl (8.25%), N (3.26%), O (11.16%)

Molar Mass: 429.9

Atom Count: 51

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 429.1131712
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FSIAKRGZWAXUQK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 121.56
Topological Polar Surface Area 56.26
Polarizability 49.24
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 C26H20ClNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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