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

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

Formula: C18H17Br2NO4

SMILES: BrC1C(Br)C2CC1C1C2C(=O)N(CC(=O)OCC2=CC=CC=C2)C1=O

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

InChI: InChI=1/C18H17Br2NO4/c19-15-10-6-11(16(15)20)14-13(10)17(23)21(18(14)24)7-12(22)25-8-9-4-2-1-3-5-9/h1-5,10-11,13-16H,6-8H2

Composition: C (45.89%), H (3.64%), Br (33.92%), N (2.97%), O (13.58%)

Molar Mass: 471.145

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	468.952434
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LSHICCWRFGKHEP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.83
Topological Polar Surface Area	63.68
Polarizability	38
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17Br2NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00