2-(4-Chlorophenyl)-5-trifluoromethylpyridazin-3-one

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Basic information

CAS: 188489-36-3
Standard SMILES: O=c1cc(C(F)(F)F)cnn1-c1ccc(Cl)cc1
InChIKey: SHQPKACXJMCATH-UHFFFAOYSA-N
Molecular formula: C11H6ClF3N2O
Average molar mass: 274.62 g/mol
Monoisotopic mass: 274.01207515

Names & identifiers

Preferred name: 2-(4-Chlorophenyl)-5-trifluoromethylpyridazin-3-one
IUPAC: 2-(4-chlorophenyl)-5-(trifluoromethyl)pyridazin-3-one

Names & synonyms

2-(4-chlorophenyl)-5-trifluoromethylpyridazin-3-oneSCHEMBL4679707DTXSID701195675188489-36-32-(4-Chlorophenyl)-5-(trifluoromethyl)-3(2H)-pyridazinone2-(4-Chlorophenyl)-5-(trifluoromethyl)pyridazin-3(2H)-one

Database identifiers

CAS: 188489-36-3
PubChem CID: 11054897
DTXSID: DTXSID701195675

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 398

Related reactions

7 records

New reaction record

HRID 48500As productuspto-grants-2004_03

HRID 685246As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 984785As productuspto-grants-2005_03

HRID 1018443As productuspto-grants-2002_11

HRID 1421621As productuspto-grants-2000_06

HRID 1700071As productuspto-grants-2002_02

HRID 2288652As productuspto-grants-2000_07

Compound notes

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