2-[4-(2-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl)phenoxy]propanoic acid

2-[4-(2-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl)phenoxy]propanoic acid

CAS: 97055-84-0

Formula: C20H24ClNO4

SMILES: CC(CC1=CC=C(OC(C)C(O)=O)C=C1)NCC(O)C1=CC=CC(Cl)=C1

IUPAC: 2-[4-(2-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl)phenoxy]propanoic acid

InChI: InChI=1/C20H24ClNO4/c1-13(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-14(2)20(24)25/h3-9,11,13-14,19,22-23H,10,12H2,1-2H3,(H,24,25)

Composition: C (63.57%), H (6.40%), Cl (9.38%), N (3.71%), O (16.94%)

Molar Mass: 377.87

Atom Count: 50

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	3
Exact Mass	377.139386
Formal Charge	0
FSP3	0.35
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	BXYUSKBKDUMWJY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.9
Topological Polar Surface Area	78.79
Polarizability	39.78
Ring Count	2
Rotatable Bond Count	9

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	97055-84-0		$1,479.02-$2,764.49$1,479.02$2,764.49