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8,9-dibromo-4-[4-(4-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}benzoyl)phenyl]-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

8,9-dibromo-4-[4-(4-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}benzoyl)phenyl]-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

Formula: C31H24Br4N2O5

SMILES: BrC1C(Br)C2CC1C1C2C(=O)N(C1=O)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N1C(=O)C2C3CC(C(Br)C3Br)C2C1=O

IUPAC: 8,9-dibromo-4-[4-(4-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}benzoyl)phenyl]-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

InChI: InChI=1/C31H24Br4N2O5/c32-23-15-9-16(24(23)33)20-19(15)28(39)36(29(20)40)13-5-1-11(2-6-13)27(38)12-3-7-14(8-4-12)37-30(41)21-17-10-18(22(21)31(37)42)26(35)25(17)34/h1-8,15-26H,9-10H2

Composition: C (45.18%), H (2.94%), Br (38.78%), N (3.40%), O (9.71%)

Molar Mass: 824.158

Atom Count: 66

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 12
Exact Mass 819.841874
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey SXBUQXZOBWJRFK-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 166.81
Topological Polar Surface Area 91.83
Polarizability 64.67
Ring Count 8
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C31H24Br4N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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