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9-(2-bromophenyl)-8,10,17-triazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene

9-(2-bromophenyl)-8,10,17-triazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene

Formula: C20H12BrN3

SMILES: BrC1=CC=CC=C1C1=NC2=C(C=CC=C2)C2=NC3=CC=CC=C3N12

IUPAC: 9-(2-bromophenyl)-8,10,17-triazatetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene

InChI: InChI=1S/C20H12BrN3/c21-15-9-3-1-7-13(15)19-22-16-10-4-2-8-14(16)20-23-17-11-5-6-12-18(17)24(19)20/h1-12H

Composition: C (64.19%), H (3.23%), Br (21.35%), N (11.23%)

Molar Mass: 374.241

Atom Count: 36

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 373.02146
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ACBQPKVTEAGDGW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 108.89
Topological Polar Surface Area 30.19
Polarizability 40.34
Ring Count 5
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H12BrN3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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