5,6-dibromo-3-[(2-oxo-2-phenylethoxy)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid

5,6-dibromo-3-[(2-oxo-2-phenylethoxy)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Formula: C17H16Br2O5

SMILES: OC(=O)C1C2CC(C(Br)C2Br)C1C(=O)OCC(=O)C1=CC=CC=C1

IUPAC: 5,6-dibromo-3-[(2-oxo-2-phenylethoxy)carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid

InChI: InChI=1/C17H16Br2O5/c18-14-9-6-10(15(14)19)13(12(9)16(21)22)17(23)24-7-11(20)8-4-2-1-3-5-8/h1-5,9-10,12-15H,6-7H2,(H,21,22)

Composition: C (44.38%), H (3.51%), Br (34.73%), O (17.39%)

Molar Mass: 460.118

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	6
Exact Mass	457.93645
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KQOKZSAXBGRZRV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.4
Topological Polar Surface Area	80.67
Polarizability	36.26
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H16Br2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00