4-{2-chloro-4-[(E)-(acetamidoimino)methyl]-6-ethoxyphenoxymethyl}benzoic acid

4-{2-chloro-4-[(E)-(acetamidoimino)methyl]-6-ethoxyphenoxymethyl}benzoic acid

Formula: C19H19ClN2O5

SMILES: CCOC1=CC(C=NNC(C)=O)=CC(Cl)=C1OCC1=CC=C(C=C1)C(O)=O

IUPAC: 4-({2-chloro-4-[(E)-(acetamidoimino)methyl]-6-ethoxyphenoxy}methyl)benzoic acid

InChI: InChI=1S/C19H19ClN2O5/c1-3-26-17-9-14(10-21-22-12(2)23)8-16(20)18(17)27-11-13-4-6-15(7-5-13)19(24)25/h4-10H,3,11H2,1-2H3,(H,22,23)(H,24,25)/b21-10+

Composition: C (58.39%), H (4.90%), Cl (9.07%), N (7.17%), O (20.47%)

Molar Mass: 390.82

Atom Count: 46

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	390.0982494
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	WRKVOCIEQRYPPI-UFFVCSGVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.91
Topological Polar Surface Area	97.22
Polarizability	38.53
Ring Count	2
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19ClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00