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

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

Formula: C21H21Br2NO5

SMILES: CC1=CC=C(C=C1)C(=O)COC(=O)CCN1C(=O)C2C3CC(C(Br)C3Br)C2C1=O

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

InChI: InChI=1/C21H21Br2NO5/c1-10-2-4-11(5-3-10)14(25)9-29-15(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 (47.84%), H (4.02%), Br (30.31%), N (2.66%), O (15.17%)

Molar Mass: 527.209

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	524.978649
Formal Charge	0
FSP3	0.52
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ROIGSQZNJHPUNL-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	111.86
Topological Polar Surface Area	80.75
Polarizability	43.51
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21Br2NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00