2-(4-bromophenyl)-2-oxoethyl 8-chloro-3-methyl-2-phenylquinoline-4-carboxylate

2-(4-bromophenyl)-2-oxoethyl 8-chloro-3-methyl-2-phenylquinoline-4-carboxylate

Formula: C25H17BrClNO3

SMILES: CC1=C(C(=O)OCC(=O)C2=CC=C(Br)C=C2)C2=CC=CC(Cl)=C2N=C1C1=CC=CC=C1

IUPAC: 2-(4-bromophenyl)-2-oxoethyl 8-chloro-3-methyl-2-phenylquinoline-4-carboxylate

InChI: InChI=1S/C25H17BrClNO3/c1-15-22(25(30)31-14-21(29)16-10-12-18(26)13-11-16)19-8-5-9-20(27)24(19)28-23(15)17-6-3-2-4-7-17/h2-13H,14H2,1H3

Composition: C (60.69%), H (3.46%), Br (16.15%), Cl (7.16%), N (2.83%), O (9.70%)

Molar Mass: 494.77

Atom Count: 48

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	493.008034
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XKZPLQXIHBEFHO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.14
Topological Polar Surface Area	56.26
Polarizability	50.11
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H17BrClNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00