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8-nitro-4-(3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

8-nitro-4-(3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

Formula: C18H15N3O4

SMILES: [O-][N+](=O)C1=CC2=C(NC(C3CC=CC23)C2=CC(=CC=C2)[N+]([O-])=O)C=C1

IUPAC: 8-nitro-4-(3-nitrophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

InChI: InChI=1/C18H15N3O4/c22-20(23)12-4-1-3-11(9-12)18-15-6-2-5-14(15)16-10-13(21(24)25)7-8-17(16)19-18/h1-5,7-10,14-15,18-19H,6H2

Composition: C (64.09%), H (4.48%), N (12.46%), O (18.97%)

Molar Mass: 337.335

Atom Count: 40

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 337.106255975
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey PADQUVZDTGNTLH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.02
Topological Polar Surface Area 98.31
Polarizability 34.15
Ring Count 4
Rotatable Bond Count 3

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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C18H15N3O4 Quote Only