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

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

Formula: C21H21Br2NO6

SMILES: COC1=CC=C(C=C1)C(=O)COC(=O)CCN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O

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

InChI: InChI=1/C21H21Br2NO6/c1-29-11-4-2-10(3-5-11)14(25)9-30-15(26)6-7-24-20(27)16-12-8-13(17(16)21(24)28)19(23)18(12)22/h2-5,12-13,16-19H,6-9H2,1H3

Composition: C (46.43%), H (3.90%), Br (29.42%), N (2.58%), O (17.67%)

Molar Mass: 543.208

Atom Count: 51

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	540.973563
Formal Charge	0
FSP3	0.52
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	DFSICQVPFWZDFN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	113.28
Topological Polar Surface Area	89.98
Polarizability	44.34
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21Br2NO6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00