Basic information
- CAS
13241-78-6- Standard SMILES
Cc1cc(C)n(C(=O)COc2ccc(Cl)cc2Cl)n1- InChIKey
WGEUSFXLHJRECP-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2N2O2
- Average molar mass
- 299.15 g/mol
- Monoisotopic mass
- 298.027583
Names & identifiers
- Preferred name
- Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl-
- IUPAC
- 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
- English name
- 1-(2,4-Dichlorophenoxyacetyl)-3,5-dimethyl pyrazole
- Molecular formula
- C13H12Cl2N2O2
- Molecular weight
- 299.15
Names & synonyms
Tomacon13241-78-6Pyrazole, 1-(2,4-dichlorophenoxyacetyl)-3,5-dimethyl-BRN 0620101DTXSID301575315-23-05-00121 (Beilstein Handbook Reference)RefChem:376038DTXCID6080022WGEUSFXLHJRECP-UHFFFAOYSA-N1-(2,4-Dichlorophenoxyacetyl)-3,5-dimethyl pyrazole3,5-DimethylpyrazolTG-427
Show more names
Ethanone, 2-(2,4-dichlorophenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-
2-(2,4-dichlorophenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone2-(2,4-dichlorophenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-oneEthanone,2-(2,4-dichlorophenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(2,4-Dichloro-phenoxy)-1-(3,5-dimethyl-pyrazol-1-yl)-ethanoneSMR0001161833,5-Dimethylpyrazol [German]1-[(2,4-dichlorophenoxy)acetyl]-3,5-dimethyl-1H-pyrazole2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
Database identifiers
- CAS
13241-78-6- PubChem CID
- 83258
- DTXSID
DTXSID30157531- ChEMBL
CHEMBL1731041
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Toxicity
- 50 oral · LD50 oral in mouse: 1130mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in mouse: 1130mg/kg
Chemistry & industry
Suppliers6 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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