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1,8-dibromo-17-phenyl-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

1,8-dibromo-17-phenyl-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

Formula: C24H15Br2NO2

SMILES: BrC12C3C(C(=O)N(C3=O)C3=CC=CC=C3)C(Br)(C3=C1C=CC=C3)C1=C2C=CC=C1

IUPAC: 1,8-dibromo-17-phenyl-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

InChI: InChI=1/C24H15Br2NO2/c25-23-15-10-4-5-11-16(15)24(26,18-13-7-6-12-17(18)23)20-19(23)21(28)27(22(20)29)14-8-2-1-3-9-14/h1-13,19-20H

Composition: C (56.61%), H (2.97%), Br (31.38%), N (2.75%), O (6.28%)

Molar Mass: 509.197

Atom Count: 44

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 506.946955
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IMYPCKILSCXHGS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 117.58
Topological Polar Surface Area 37.38
Polarizability 44.99
Ring Count 6
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H15Br2NO2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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