3-[(E)-{[2-(3-chlorophenoxy)acetamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

3-[(E)-{[2-(3-chlorophenoxy)acetamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

Formula: C23H17ClN2O6

SMILES: ClC1=CC(OCC(=O)NN=CC2=CC=CC(OC(=O)C3=CC=C4OCOC4=C3)=C2)=CC=C1

IUPAC: 3-[(E)-{[2-(3-chlorophenoxy)acetamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

InChI: InChI=1S/C23H17ClN2O6/c24-17-4-2-5-18(11-17)29-13-22(27)26-25-12-15-3-1-6-19(9-15)32-23(28)16-7-8-20-21(10-16)31-14-30-20/h1-12H,13-14H2,(H,26,27)/b25-12+

Composition: C (61.00%), H (3.78%), Cl (7.83%), N (6.19%), O (21.20%)

Molar Mass: 452.85

Atom Count: 49

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	452.077514
Formal Charge	0
FSP3	0.09
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	AQSLXPJKAFICOM-BRJLIKDPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.9
Topological Polar Surface Area	95.45
Polarizability	44.6
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H17ClN2O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00