ethyl 2-benzoyl-4-(4-bromophenyl)-4-oxobutanoate

ethyl 2-benzoyl-4-(4-bromophenyl)-4-oxobutanoate

CAS: 29113-49-3

Formula: C19H17BrO4

SMILES: CCOC(=O)C(CC(=O)C1=CC=C(Br)C=C1)C(=O)C1=CC=CC=C1

IUPAC: ethyl 2-benzoyl-4-(4-bromophenyl)-4-oxobutanoate

InChI: InChI=1/C19H17BrO4/c1-2-24-19(23)16(18(22)14-6-4-3-5-7-14)12-17(21)13-8-10-15(20)11-9-13/h3-11,16H,2,12H2,1H3

Composition: C (58.63%), H (4.40%), Br (20.53%), O (16.44%)

Molar Mass: 389.245

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	388.031022
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LSYAQULUWRJCCX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.6
Topological Polar Surface Area	60.44
Polarizability	36.45
Ring Count	2
Rotatable Bond Count	8

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	29113-49-3		$51.35-$86.31$51.35$63.37$68.83$86.31