4-{[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}benzonitrile

4-{[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}benzonitrile

Formula: C17H11N3O2

SMILES: O=C1NN(C(=O)C1=C/C1=CC=C(C=C1)C#N)C1=CC=CC=C1

IUPAC: 4-{[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}benzonitrile

InChI: InChI=1S/C17H11N3O2/c18-11-13-8-6-12(7-9-13)10-15-16(21)19-20(17(15)22)14-4-2-1-3-5-14/h1-10H,(H,19,21)/b15-10-

Composition: C (70.58%), H (3.83%), N (14.53%), O (11.06%)

Molar Mass: 289.294

Atom Count: 33

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	289.085126606
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZHFXUKUARDQYNJ-GDNBJRDFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.57
Topological Polar Surface Area	73.2
Polarizability	30.54
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H11N3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00