5-{2-chloro-3-hydroxy-3-[2-(octadecyloxy)phenyl]prop-2-enamido}benzene-1,3-dicarboxylic acid

5-{2-chloro-3-hydroxy-3-[2-(octadecyloxy)phenyl]prop-2-enamido}benzene-1,3-dicarboxylic acid

Formula: C35H48ClNO7

SMILES: CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(O)=C(Cl)C(=O)NC1=CC(=CC(=C1)C(O)=O)C(O)=O

IUPAC: 5-{2-chloro-3-hydroxy-3-[2-(octadecyloxy)phenyl]prop-2-enamido}benzene-1,3-dicarboxylic acid

InChI: InChI=1S/C35H48ClNO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-44-30-21-18-17-20-29(30)32(38)31(36)33(39)37-28-24-26(34(40)41)23-27(25-28)35(42)43/h17-18,20-21,23-25,38H,2-16,19,22H2,1H3,(H,37,39)(H,40,41)(H,42,43)

Composition: C (66.70%), H (7.68%), Cl (5.63%), N (2.22%), O (17.77%)

Molar Mass: 630.22

Atom Count: 92

Heavy Atom Count: 44

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	629.3119306
Formal Charge	0
FSP3	0.51
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
InChIKey	HAYVOCWPDPRLLA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	177.28
Topological Polar Surface Area	133.16
Polarizability	67.34
Ring Count	2
Rotatable Bond Count	23

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C35H48ClNO7		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00