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10-(2-chlorophenyl)-4-(4-ethylphenyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0²,?]dodeca-1(9),2,4,7,11-pentaene

10-(2-chlorophenyl)-4-(4-ethylphenyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0²,?]dodeca-1(9),2,4,7,11-pentaene

Formula: C20H15ClN6

SMILES: CCC1=CC=C(C=C1)C1=NN2C=NC3=C(C=NN3C3=CC=CC=C3Cl)C2=N1

IUPAC: 10-(2-chlorophenyl)-4-(4-ethylphenyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0²,?]dodeca-1(9),2,4,7,11-pentaene

InChI: InChI=1S/C20H15ClN6/c1-2-13-7-9-14(10-8-13)18-24-20-15-11-23-27(17-6-4-3-5-16(17)21)19(15)22-12-26(20)25-18/h3-12H,2H2,1H3

Composition: C (64.09%), H (4.03%), Cl (9.46%), N (22.42%)

Molar Mass: 374.83

Atom Count: 42

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 374.1046722
Formal Charge 0
FSP3 0.1
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey JXEWVDZPCMDJBB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 127.45
Topological Polar Surface Area 60.9
Polarizability 41.2
Ring Count 5
Rotatable Bond Count 3

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H15ClN6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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