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10-(2-chloro-5-nitrophenyl)-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

10-(2-chloro-5-nitrophenyl)-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

Formula: C25H20ClN3O3

SMILES: [O-][N+](=O)C1=CC=C(Cl)C(=C1)C1NC2=C(NC3=C1C(=O)CC(C3)C1=CC=CC=C1)C=CC=C2

IUPAC: 10-(2-chloro-5-nitrophenyl)-14-phenyl-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6-tetraen-12-one

InChI: InChI=1/C25H20ClN3O3/c26-19-11-10-17(29(31)32)14-18(19)25-24-22(27-20-8-4-5-9-21(20)28-25)12-16(13-23(24)30)15-6-2-1-3-7-15/h1-11,14,16,25,27-28H,12-13H2

Composition: C (67.34%), H (4.52%), Cl (7.95%), N (9.42%), O (10.76%)

Molar Mass: 445.9

Atom Count: 52

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 445.1193192
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey KFDGLDPNDVLWLR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 127.49
Topological Polar Surface Area 84.27
Polarizability 46.79
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H20ClN3O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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