1-(2',4',6'-Trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone

• CAS: 30707-68-7
• Catalog Number: ACM30707687
• Category: Coupler
• Molecular Weight: 434.06
• Molecular Formula: C₁₅H₈Cl₄N₄O₃
• Synonyms: 1-(2',4',6'-trichlorophenyl)-3-(2'-chloro-5'-nitroanilino)-5-pyrazolone;5-[(2-chloro-5-nitrophenyl)amino]-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3h-pyrazol-3-one;5-[(2-chloro-5-nitrophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one;5-[(
• Density: 1.74 g/cm³

Custom Q&A

What is the molecular formula of the compound with PubChem CID 135400202?

The molecular formula is C15H8Cl4N4O3.

What is the computed molecular weight of the compound?

The computed molecular weight is 434.1 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-(2-chloro-5-nitrophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one.

What is the InChIKey of the compound?

The InChIKey is KONNKNHQEUEYPZ-UHFFFAOYSA-N.

What is the canonical SMILES representation of the compound?

The canonical SMILES is C1C(=NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)NN(C1=O)C3=C(C=C(C=C3Cl)Cl)Cl.

What are some other identifiers for this compound?

Other identifiers include CAS number 30707-68-7, EC number 250-303-9, UNII GL27UQ95LT, and DSSTox Substance ID DTXSID9067568.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 4.9.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area is 90.5 Ų.

How many defined bond stereocenters does the compound have?

The compound has 0 defined bond stereocenters.