3-[5-({[(4-carboxyphenyl)methyl]amino}methyl)furan-2-yl]-4-chlorobenzoic acid

3-[5-({[(4-carboxyphenyl)methyl]amino}methyl)furan-2-yl]-4-chlorobenzoic acid

Formula: C20H16ClNO5

SMILES: OC(=O)C1=CC=C(CNCC2=CC=C(O2)C2=CC(=CC=C2Cl)C(O)=O)C=C1

IUPAC: 3-[5-({[(4-carboxyphenyl)methyl]amino}methyl)furan-2-yl]-4-chlorobenzoic acid

InChI: InChI=1S/C20H16ClNO5/c21-17-7-5-14(20(25)26)9-16(17)18-8-6-15(27-18)11-22-10-12-1-3-13(4-2-12)19(23)24/h1-9,22H,10-11H2,(H,23,24)(H,25,26)

Composition: C (62.27%), H (4.18%), Cl (9.19%), N (3.63%), O (20.73%)

Molar Mass: 385.8

Atom Count: 43

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	385.0717003
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	DKGZSKUZIHIKDM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.64
Topological Polar Surface Area	99.77
Polarizability	39.49
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H16ClNO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00