2-(4-bromophenyl)-2-oxoethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}butanoate

2-(4-bromophenyl)-2-oxoethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}butanoate

Formula: C20H16BrClF3NO4

SMILES: FC(F)(F)C1=CC=C(Cl)C(NC(=O)CCCC(=O)OCC(=O)C2=CC=C(Br)C=C2)=C1

IUPAC: 2-(4-bromophenyl)-2-oxoethyl 4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}butanoate

InChI: InChI=1S/C20H16BrClF3NO4/c21-14-7-4-12(5-8-14)17(27)11-30-19(29)3-1-2-18(28)26-16-10-13(20(23,24)25)6-9-15(16)22/h4-10H,1-3,11H2,(H,26,28)

Composition: C (47.41%), H (3.18%), Br (15.77%), Cl (7.00%), F (11.25%), N (2.76%), O (12.63%)

Molar Mass: 506.7

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	504.990333
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HOKKRDILDISYEQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	109.49
Topological Polar Surface Area	72.47
Polarizability	40.94
Ring Count	2
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H16BrClF3NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00