N-(4-bromo-2-methoxyphenyl)-5-oxo-4-oxatricyclo[4.2.1.0³,?]nonane-9-carboxamide

N-(4-bromo-2-methoxyphenyl)-5-oxo-4-oxatricyclo[4.2.1.0³,?]nonane-9-carboxamide

Formula: C16H16BrNO4

SMILES: COC1=CC(Br)=CC=C1NC(=O)C1C2CC3OC(=O)C1C3C2

IUPAC: N-(4-bromo-2-methoxyphenyl)-5-oxo-4-oxatricyclo[4.2.1.0³,?]nonane-9-carboxamide

InChI: InChI=1/C16H16BrNO4/c1-21-12-6-8(17)2-3-10(12)18-15(19)13-7-4-9-11(5-7)22-16(20)14(9)13/h2-3,6-7,9,11,13-14H,4-5H2,1H3,(H,18,19)

Composition: C (52.48%), H (4.40%), Br (21.82%), N (3.82%), O (17.48%)

Molar Mass: 366.211

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	365.026271
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JSIHZHKCOSRVTO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.24
Topological Polar Surface Area	64.63
Polarizability	32.12
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H16BrNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00