5-{8,10-dinitro-2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}-2-hydroxybenzoic acid

5-{8,10-dinitro-2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}-2-hydroxybenzoic acid

Formula: C19H9N3O9

SMILES: OC(=O)C1=CC(=CC=C1O)N1C(=O)C2=CC=C(C3=C(C=CC(C1=O)=C23)[N+]([O-])=O)[N+]([O-])=O

IUPAC: 5-{8,10-dinitro-2,4-dioxo-3-azatricyclo[7.3.1.0?,¹³]trideca-1(13),5,7,9,11-pentaen-3-yl}-2-hydroxybenzoic acid

InChI: InChI=1S/C19H9N3O9/c23-14-6-1-8(7-11(14)19(26)27)20-17(24)9-2-4-12(21(28)29)16-13(22(30)31)5-3-10(15(9)16)18(20)25/h1-7,23H,(H,26,27)

Composition: C (53.91%), H (2.14%), N (9.93%), O (34.02%)

Molar Mass: 423.293

Atom Count: 40

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	423.033878882
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
InChIKey	UDTWAKPGWUEPHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.32
Topological Polar Surface Area	181.19
Polarizability	38.49
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H9N3O9		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00