4-{[6-(4-cyano-2-nitrophenoxy)hexyl]oxy}-3-nitrobenzonitrile

4-{[6-(4-cyano-2-nitrophenoxy)hexyl]oxy}-3-nitrobenzonitrile

Formula: C20H18N4O6

SMILES: [O-][N+](=O)C1=CC(=CC=C1OCCCCCCOC1=CC=C(C=C1[N+]([O-])=O)C#N)C#N

IUPAC: 4-{[6-(4-cyano-2-nitrophenoxy)hexyl]oxy}-3-nitrobenzonitrile

InChI: InChI=1S/C20H18N4O6/c21-13-15-5-7-19(17(11-15)23(25)26)29-9-3-1-2-4-10-30-20-8-6-16(14-22)12-18(20)24(27)28/h5-8,11-12H,1-4,9-10H2

Composition: C (58.54%), H (4.42%), N (13.65%), O (23.39%)

Molar Mass: 410.386

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	410.122634316
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
InChIKey	BQPLOAZGSWZEOS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.87
Topological Polar Surface Area	152.32
Polarizability	39.82
Ring Count	2
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18N4O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00