5-bromo-2-[4-(2,4-dichlorophenoxy)butanamido]benzoic acid

5-bromo-2-[4-(2,4-dichlorophenoxy)butanamido]benzoic acid

Formula: C17H14BrCl2NO4

SMILES: OC(=O)C1=CC(Br)=CC=C1NC(=O)CCCOC1=CC=C(Cl)C=C1Cl

IUPAC: 5-bromo-2-[4-(2,4-dichlorophenoxy)butanamido]benzoic acid

InChI: InChI=1S/C17H14BrCl2NO4/c18-10-3-5-14(12(8-10)17(23)24)21-16(22)2-1-7-25-15-6-4-11(19)9-13(15)20/h3-6,8-9H,1-2,7H2,(H,21,22)(H,23,24)

Composition: C (45.67%), H (3.16%), Br (17.87%), Cl (15.86%), N (3.13%), O (14.31%)

Molar Mass: 447.11

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	444.948326
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RRZGDYJJAHRENE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	100.83
Topological Polar Surface Area	75.63
Polarizability	38.26
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H14BrCl2NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00