4-chloro-3-(5-{[(2-hydroxy-2-phenylethyl)amino]methyl}furan-2-yl)benzoic acid

4-chloro-3-(5-{[(2-hydroxy-2-phenylethyl)amino]methyl}furan-2-yl)benzoic acid

Formula: C20H18ClNO4

SMILES: OC(CNCC1=CC=C(O1)C1=CC(=CC=C1Cl)C(O)=O)C1=CC=CC=C1

IUPAC: 4-chloro-3-(5-{[(2-hydroxy-2-phenylethyl)amino]methyl}furan-2-yl)benzoic acid

InChI: InChI=1/C20H18ClNO4/c21-17-8-6-14(20(24)25)10-16(17)19-9-7-15(26-19)11-22-12-18(23)13-4-2-1-3-5-13/h1-10,18,22-23H,11-12H2,(H,24,25)

Composition: C (64.61%), H (4.88%), Cl (9.53%), N (3.77%), O (17.21%)

Molar Mass: 371.82

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	371.0924358
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	JGSBAHCPFYHTBI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.35
Topological Polar Surface Area	82.7
Polarizability	39.61
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H18ClNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00