2-chloro-5-(5-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

2-chloro-5-(5-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

Formula: C21H13ClN2O5

SMILES: OC(=O)C1=CC(=CC=C1Cl)C1=CC=C(O1)C=C1/C(=O)NN(C1=O)C1=CC=CC=C1

IUPAC: 2-chloro-5-(5-{[(4E)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

InChI: InChI=1S/C21H13ClN2O5/c22-17-8-6-12(10-15(17)21(27)28)18-9-7-14(29-18)11-16-19(25)23-24(20(16)26)13-4-2-1-3-5-13/h1-11H,(H,23,25)(H,27,28)/b16-11+

Composition: C (61.70%), H (3.21%), Cl (8.67%), N (6.85%), O (19.57%)

Molar Mass: 408.79

Atom Count: 42

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	408.0512992
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BWOAQNUVYKZNFJ-LFIBNONCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.32
Topological Polar Surface Area	99.85
Polarizability	40.78
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H13ClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00