4-nitro-5-[(4-phenoxyphenyl)amino]benzene-1,2-dicarbonitrile

4-nitro-5-[(4-phenoxyphenyl)amino]benzene-1,2-dicarbonitrile

Formula: C20H12N4O3

SMILES: [O-][N+](=O)C1=C(NC2=CC=C(OC3=CC=CC=C3)C=C2)C=C(C#N)C(=C1)C#N

IUPAC: 4-nitro-5-[(4-phenoxyphenyl)amino]benzene-1,2-dicarbonitrile

InChI: InChI=1S/C20H12N4O3/c21-12-14-10-19(20(24(25)26)11-15(14)13-22)23-16-6-8-18(9-7-16)27-17-4-2-1-3-5-17/h1-11,23H

Composition: C (67.41%), H (3.39%), N (15.72%), O (13.47%)

Molar Mass: 356.341

Atom Count: 39

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	356.090940262
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	TWZHVGPTZWUYBM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	98.55
Topological Polar Surface Area	111.98
Polarizability	36.91
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H12N4O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00