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octyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate

octyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate

Formula: C25H28BrNO3

SMILES: CCCCCCCCOC(=O)C1=CC(=NC2=CC=C(Br)C=C12)C1=CC=C(OC)C=C1

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

InChI: InChI=1S/C25H28BrNO3/c1-3-4-5-6-7-8-15-30-25(28)22-17-24(18-9-12-20(29-2)13-10-18)27-23-14-11-19(26)16-21(22)23/h9-14,16-17H,3-8,15H2,1-2H3

Composition: C (63.83%), H (6.00%), Br (16.99%), N (2.98%), O (10.20%)

Molar Mass: 470.407

Atom Count: 58

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 469.125257
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GFHQVZYWFBYIFV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 123.13
Topological Polar Surface Area 48.42
Polarizability 50.37
Ring Count 3
Rotatable Bond Count 11

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H28BrNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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