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

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

Formula: C23H19Br2NO5

SMILES: COC1=CC=CC=C1C(=O)OC1=CC=C(C=C1)N1C(=O)C2C3CC(C(Br)C3Br)C2C1=O

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

InChI: InChI=1/C23H19Br2NO5/c1-30-16-5-3-2-4-13(16)23(29)31-12-8-6-11(7-9-12)26-21(27)17-14-10-15(18(17)22(26)28)20(25)19(14)24/h2-9,14-15,17-20H,10H2,1H3

Composition: C (50.30%), H (3.49%), Br (29.10%), N (2.55%), O (14.57%)

Molar Mass: 549.215

Atom Count: 50

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	6
Exact Mass	546.962999
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZNTMHFQXBHTUJA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	119.41
Topological Polar Surface Area	72.91
Polarizability	46.27
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H19Br2NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00