AC1LOXJA

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

Also Known As: CBMicro_009053|BIM-0009008.P001|AN-023/13175010|SR-01000225007-1|3-(5-{[1-(3-chloro-4-fluorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-furyl)benzoic acid|3-(5-{(Z)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoic acid|3-[5-[(Z)-[1-(3-chloro-4-fluorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid|3-(5-{[1-(3-chloro-4-fluorophenyl)-3,5-dioxo-1,2-diazolidin-4-ylidene]methyl}- 2-furyl)benzoic acid

Molecular Formula	C21H12ClFN2O5
Molecular Weight	426.04187 g/mol
LogP	3.8987
Topological Polar Surface Area	99.85 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	426.04187
Monoisotopic Mass	426.04187
Heavy Atoms	30
Complexity	1233.6396

Chemical Identifiers

CAS Number	5994-93-4
SMILES	C1=CC(=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)NN(C3=O)C4=CC(=C(C=C4)F)Cl