propyl 4-{4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

propyl 4-{4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

Formula: C22H21ClN2O8

SMILES: CCCOC(=O)C1=CC=C(NC(=O)CCC(=O)OCC(=O)C2=CC=C(Cl)C(=C2)[N+]([O-])=O)C=C1

IUPAC: propyl 4-{4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

InChI: InChI=1S/C22H21ClN2O8/c1-2-11-32-22(29)14-3-6-16(7-4-14)24-20(27)9-10-21(28)33-13-19(26)15-5-8-17(23)18(12-15)25(30)31/h3-8,12H,2,9-11,13H2,1H3,(H,24,27)

Composition: C (55.41%), H (4.44%), Cl (7.43%), N (5.87%), O (26.84%)

Molar Mass: 476.87

Atom Count: 54

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	476.0986433
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	AKRPSNOZFKOGEI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.91
Topological Polar Surface Area	141.91
Polarizability	45.04
Ring Count	2
Rotatable Bond Count	13

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H21ClN2O8		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00