3-(2-iodophenyl)-8,10-dinitro-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

3-(2-iodophenyl)-8,10-dinitro-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

Formula: C18H8IN3O6

SMILES: [O-][N+](=O)C1=CC=C2C(=O)N(C(=O)C3=C2C1=C(C=C3)[N+]([O-])=O)C1=CC=CC=C1I

IUPAC: 3-(2-iodophenyl)-8,10-dinitro-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione

InChI: InChI=1S/C18H8IN3O6/c19-11-3-1-2-4-12(11)20-17(23)9-5-7-13(21(25)26)16-14(22(27)28)8-6-10(15(9)16)18(20)24/h1-8H

Composition: C (44.20%), H (1.65%), I (25.94%), N (8.59%), O (19.62%)

Molar Mass: 489.181

Atom Count: 36

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	488.94578
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	DDKOJFHTYDCGAN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.44
Topological Polar Surface Area	123.66
Polarizability	40.64
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H8IN3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00