19-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17-dien-21-one

19-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17-dien-21-one

CAS: 81238-58-6

Formula: C22H26N4O10

SMILES: [O-][N+](=O)C1=CC=C(NN=C2C=C3COCCOCCOCCOCCOCC(=C2)C3=O)C(=C1)[N+]([O-])=O

IUPAC: 19-[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17-dien-21-one

InChI: InChI=1S/C22H26N4O10/c27-22-16-11-18(23-24-20-2-1-19(25(28)29)13-21(20)26(30)31)12-17(22)15-36-10-8-34-6-4-32-3-5-33-7-9-35-14-16/h1-2,11-13,24H,3-10,14-15H2

Composition: C (52.17%), H (5.17%), N (11.06%), O (31.59%)

Molar Mass: 506.468

Atom Count: 62

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	506.164893053
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	1
InChIKey	NQSRKKVRYOZHSC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.33
Topological Polar Surface Area	173.89
Polarizability	47.25
Ring Count	3
Rotatable Bond Count	4

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	81238-58-6		$230.00$230.00

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	81238-58-6		$82.80$82.80