2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}phenyl 2,4-dichlorobenzoate

2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}phenyl 2,4-dichlorobenzoate

Formula: C22H17Cl2NO4

SMILES: ClC1=CC=C(C(=O)OC2=CC=CC=C2N2C(=O)C3C4CCC(C4)C3C2=O)C(Cl)=C1

IUPAC: 2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}phenyl 2,4-dichlorobenzoate

InChI: InChI=1/C22H17Cl2NO4/c23-13-7-8-14(15(24)10-13)22(28)29-17-4-2-1-3-16(17)25-20(26)18-11-5-6-12(9-11)19(18)21(25)27/h1-4,7-8,10-12,18-19H,5-6,9H2

Composition: C (61.41%), H (3.98%), Cl (16.48%), N (3.26%), O (14.87%)

Molar Mass: 430.28

Atom Count: 46

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	429.0534634
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SMYSKMXYRSIGPB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.61
Topological Polar Surface Area	63.68
Polarizability	41.97
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H17Cl2NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00