2-(4-bromophenyl)-2-oxoethyl 3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoate

2-(4-bromophenyl)-2-oxoethyl 3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoate

Formula: C19H15BrF3NO4

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

IUPAC: 2-(4-bromophenyl)-2-oxoethyl 3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoate

InChI: InChI=1S/C19H15BrF3NO4/c20-14-6-4-12(5-7-14)16(25)11-28-18(27)9-8-17(26)24-15-3-1-2-13(10-15)19(21,22)23/h1-7,10H,8-9,11H2,(H,24,26)

Composition: C (49.80%), H (3.30%), Br (17.44%), F (12.44%), N (3.06%), O (13.97%)

Molar Mass: 458.231

Atom Count: 43

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	457.013655
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QQLCZIQWSGVXTK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.08
Topological Polar Surface Area	72.47
Polarizability	37.15
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H15BrF3NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00