2-(4-bromophenyl)-2-oxoethyl 3-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}propanoate

2-(4-bromophenyl)-2-oxoethyl 3-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}propanoate

Formula: C20H18Br3NO5

SMILES: BrC1C(Br)C2CC1C1C2C(=O)N(CCC(=O)OCC(=O)C2=CC=C(Br)C=C2)C1=O

IUPAC: 2-(4-bromophenyl)-2-oxoethyl 3-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}propanoate

InChI: InChI=1/C20H18Br3NO5/c21-10-3-1-9(2-4-10)13(25)8-29-14(26)5-6-24-19(27)15-11-7-12(16(15)20(24)28)18(23)17(11)22/h1-4,11-12,15-18H,5-8H2

Composition: C (40.57%), H (3.06%), Br (40.49%), N (2.37%), O (13.51%)

Molar Mass: 592.078

Atom Count: 47

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	588.873512
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XGUCYBSMXYOBLR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	114.44
Topological Polar Surface Area	80.75
Polarizability	44.85
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18Br3NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00