2-(4-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetonitrile

2-(4-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetonitrile

Formula: C20H16ClN3O4

SMILES: COC1=CC(C=C2C(=O)NN(C2=O)C2=CC=C(C)C(Cl)=C2)=CC=C1OCC#N

IUPAC: 2-(4-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetonitrile

InChI: InChI=1S/C20H16ClN3O4/c1-12-3-5-14(11-16(12)21)24-20(26)15(19(25)23-24)9-13-4-6-17(28-8-7-22)18(10-13)27-2/h3-6,9-11H,8H2,1-2H3,(H,23,25)/b15-9-

Composition: C (60.38%), H (4.05%), Cl (8.91%), N (10.56%), O (16.09%)

Molar Mass: 397.82

Atom Count: 44

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	397.0829337
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ANZSLYWBDLCRNE-DHDCSXOGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.69
Topological Polar Surface Area	91.66
Polarizability	39.13
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H16ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00