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heptyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate

heptyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate

Formula: C24H26BrNO2

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

IUPAC: heptyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate

InChI: InChI=1S/C24H26BrNO2/c1-3-4-5-6-7-14-28-24(27)21-16-23(18-9-11-19(25)12-10-18)26-22-13-8-17(2)15-20(21)22/h8-13,15-16H,3-7,14H2,1-2H3

Composition: C (65.46%), H (5.95%), Br (18.14%), N (3.18%), O (7.27%)

Molar Mass: 440.381

Atom Count: 54

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 439.114692
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QCRMFQVHHSJYLW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 117.11
Topological Polar Surface Area 39.19
Polarizability 47.77
Ring Count 3
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H26BrNO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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