2-chloro-5-(5-{[(4Z)-1-(3-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

2-chloro-5-(5-{[(4Z)-1-(3-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

Formula: C22H15ClN2O5

SMILES: CC1=CC=CC(=C1)N1NC(=O)C(=CC2=CC=C(O2)C2=CC=C(Cl)C(=C2)C(O)=O)C1=O

IUPAC: 2-chloro-5-(5-{[(4Z)-1-(3-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid

InChI: InChI=1S/C22H15ClN2O5/c1-12-3-2-4-14(9-12)25-21(27)17(20(26)24-25)11-15-6-8-19(30-15)13-5-7-18(23)16(10-13)22(28)29/h2-11H,1H3,(H,24,26)(H,28,29)/b17-11-

Composition: C (62.50%), H (3.58%), Cl (8.38%), N (6.63%), O (18.92%)

Molar Mass: 422.82

Atom Count: 45

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	422.0669493
Formal Charge	0
FSP3	0.05
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NKWHHMDBDZPZNO-BOPFTXTBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.36
Topological Polar Surface Area	99.85
Polarizability	42.54
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H15ClN2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00