Basic information
- CAS
245039-45-6- Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)C(C=NOCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1- InChIKey
SMLKVFIKVNXFSR-UHFFFAOYSA-N- Molecular formula
- C25H17Cl2F6N3O3
- Average molar mass
- 592.3 g/mol
Names & identifiers
- Preferred name
- 2-[(2,4-dichlorophenyl)methoxyiminomethyl]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide
- IUPAC
- 2-[(2,4-dichlorophenyl)methoxyiminomethyl]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide
- English name
- 2-(([(2,4-Dichlorobenzyl)oxy]imino)methyl)-N1,N3-bis[3-(trifluoromethyl)phenyl]malonamide
- Molecular formula
- C25H17Cl2F6N3O3
- Molecular weight
- 592.32
Names & synonyms
AKOS0302436472-(([(2,4-Dichlorobenzyl)oxy]imino)methyl)-N1,N3-bis[3-(trifluoromethyl)phenyl]malonamidePropanediamide, 2-[[[(2,4-dichlorophenyl)methoxy]imino]methyl]-N1,N3-bis[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
245039-45-6
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 812
Physicochemical properties
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- -1.56 · -1.56±0.59(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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