4-{2-[2-(4-nitrobenzamido)benzoyloxy]acetyl}phenyl furan-2-carboxylate

4-{2-[2-(4-nitrobenzamido)benzoyloxy]acetyl}phenyl furan-2-carboxylate

Formula: C27H18N2O9

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)NC1=CC=CC=C1C(=O)OCC(=O)C1=CC=C(OC(=O)C2=CC=CO2)C=C1

IUPAC: 4-{2-[2-(4-nitrobenzamido)benzoyloxy]acetyl}phenyl furan-2-carboxylate

InChI: InChI=1S/C27H18N2O9/c30-23(17-9-13-20(14-10-17)38-27(33)24-6-3-15-36-24)16-37-26(32)21-4-1-2-5-22(21)28-25(31)18-7-11-19(12-8-18)29(34)35/h1-15H,16H2,(H,28,31)

Composition: C (63.04%), H (3.53%), N (5.45%), O (27.99%)

Molar Mass: 514.446

Atom Count: 56

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	514.101230168
Formal Charge	0
FSP3	0.04
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	CCBHQSOEDIPFMB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	134.03
Topological Polar Surface Area	155.05
Polarizability	49.85
Ring Count	4
Rotatable Bond Count	11

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H18N2O9		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00