3-(2-bromophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

3-(2-bromophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

Formula: C15H12BrNO4

SMILES: OC(=O)C1C2OC3(CN(C(=O)C13)C1=CC=CC=C1Br)C=C2

IUPAC: 3-(2-bromophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylic acid

InChI: InChI=1/C15H12BrNO4/c16-8-3-1-2-4-9(8)17-7-15-6-5-10(21-15)11(14(19)20)12(15)13(17)18/h1-6,10-12H,7H2,(H,19,20)

Composition: C (51.45%), H (3.45%), Br (22.82%), N (4.00%), O (18.28%)

Molar Mass: 350.168

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	348.994971
Formal Charge	0
FSP3	0.33
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YSWNWJUKLUOERO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.35
Topological Polar Surface Area	66.84
Polarizability	29.84
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H12BrNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00