hexyl 6-bromo-2-phenylquinoline-4-carboxylate

hexyl 6-bromo-2-phenylquinoline-4-carboxylate

Formula: C22H22BrNO2

SMILES: CCCCCCOC(=O)C1=CC(=NC2=CC=C(Br)C=C12)C1=CC=CC=C1

IUPAC: hexyl 6-bromo-2-phenylquinoline-4-carboxylate

InChI: InChI=1S/C22H22BrNO2/c1-2-3-4-8-13-26-22(25)19-15-21(16-9-6-5-7-10-16)24-20-12-11-17(23)14-18(19)20/h5-7,9-12,14-15H,2-4,8,13H2,1H3

Composition: C (64.09%), H (5.38%), Br (19.38%), N (3.40%), O (7.76%)

Molar Mass: 412.327

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	411.083392
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	SESYIFYCAAZCAB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	107.47
Topological Polar Surface Area	39.19
Polarizability	44.17
Ring Count	3
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22BrNO2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00