2-methoxy-4-{[2-(5-nitropyridin-2-yl)diazen-1-yl]methyl}phenyl 4-methylbenzoate

2-methoxy-4-{[2-(5-nitropyridin-2-yl)diazen-1-yl]methyl}phenyl 4-methylbenzoate

Formula: C21H18N4O5

SMILES: COC1=CC(CN=NC2=CC=C(C=N2)[N+]([O-])=O)=CC=C1OC(=O)C1=CC=C(C)C=C1

IUPAC: 2-methoxy-4-{[2-(5-nitropyridin-2-yl)diazen-1-yl]methyl}phenyl 4-methylbenzoate

InChI: InChI=1S/C21H18N4O5/c1-14-3-6-16(7-4-14)21(26)30-18-9-5-15(11-19(18)29-2)12-23-24-20-10-8-17(13-22-20)25(27)28/h3-11,13H,12H2,1-2H3

Composition: C (62.07%), H (4.46%), N (13.79%), O (19.68%)

Molar Mass: 406.398

Atom Count: 48

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	406.127719696
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	IJQVTWDIWJDHIR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	110.98
Topological Polar Surface Area	116.28
Polarizability	40.88
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H18N4O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00