17-(4-methyl-2-nitrophenyl)-1-nitro-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

17-(4-methyl-2-nitrophenyl)-1-nitro-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

Formula: C25H17N3O6

SMILES: CC1=CC=C(N2C(=O)C3C(C2=O)C2(C4=C(C=CC=C4)C3C3=C2C=CC=C3)[N+]([O-])=O)C(=C1)[N+]([O-])=O

IUPAC: 17-(4-methyl-2-nitrophenyl)-1-nitro-17-azapentacyclo[6.6.5.0²,?.0?,¹?.0¹?,¹?]nonadeca-2(7),3,5,9(14),10,12-hexaene-16,18-dione

InChI: InChI=1/C25H17N3O6/c1-13-10-11-18(19(12-13)27(31)32)26-23(29)21-20-14-6-2-4-8-16(14)25(28(33)34,22(21)24(26)30)17-9-5-3-7-15(17)20/h2-12,20-22H,1H3

Composition: C (65.93%), H (3.76%), N (9.23%), O (21.08%)

Molar Mass: 455.426

Atom Count: 51

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	455.111735279
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	WURBJLBPLOISAE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.77
Topological Polar Surface Area	123.66
Polarizability	45.21
Ring Count	6
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H17N3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00