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17-(4-fluorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde

17-(4-fluorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde

Formula: C25H16FNO3

SMILES: FC1=CC=C(C=C1)N1C(=O)C2C(C1=O)C1(C=O)C3=C(C=CC=C3)C2C2=C1C=CC=C2

IUPAC: 17-(4-fluorophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-1-carbaldehyde

InChI: InChI=1/C25H16FNO3/c26-14-9-11-15(12-10-14)27-23(29)21-20-16-5-1-3-7-18(16)25(13-28,22(21)24(27)30)19-8-4-2-6-17(19)20/h1-13,20-22H

Composition: C (75.56%), H (4.06%), F (4.78%), N (3.52%), O (12.08%)

Molar Mass: 397.405

Atom Count: 46

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 397.111421542
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YFZFZTMSOIYRNK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.03
Topological Polar Surface Area 54.45
Polarizability 41.2
Ring Count 6
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H16FNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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