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

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

Formula: C19H16Br2N2O7

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)COC(=O)CN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O

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

InChI: InChI=1/C19H16Br2N2O7/c20-16-10-5-11(17(16)21)15-14(10)18(26)22(19(15)27)6-13(25)30-7-12(24)8-1-3-9(4-2-8)23(28)29/h1-4,10-11,14-17H,5-7H2

Composition: C (41.94%), H (2.96%), Br (29.37%), N (5.15%), O (20.58%)

Molar Mass: 544.152

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	541.932427
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	BPMKMRSPVBLBHG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	108.44
Topological Polar Surface Area	123.89
Polarizability	42.09
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H16Br2N2O7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00