3-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}phenyl heptanoate

3-{8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.0²,?]decan-4-yl}phenyl heptanoate

Formula: C22H25Br2NO4

SMILES: CCCCCCC(=O)OC1=CC=CC(=C1)N1C(=O)C2C3CC(C(Br)C3Br)C2C1=O

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

InChI: InChI=1/C22H25Br2NO4/c1-2-3-4-5-9-16(26)29-13-8-6-7-12(10-13)25-21(27)17-14-11-15(18(17)22(25)28)20(24)19(14)23/h6-8,10,14-15,17-20H,2-5,9,11H2,1H3

Composition: C (50.12%), H (4.78%), Br (30.31%), N (2.66%), O (12.14%)

Molar Mass: 527.253

Atom Count: 54

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	525.015034
Formal Charge	0
FSP3	0.59
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	SEUJXQZYAGZBCZ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	115.31
Topological Polar Surface Area	63.68
Polarizability	45.19
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H25Br2NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00