Basic information
- CAS
320419-54-3- Standard SMILES
O=C(ON=C1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1cccc(C(F)(F)F)c1- InChIKey
YTMKOPBXGSYMLV-UHFFFAOYSA-N- Molecular formula
- C23H13Cl2F3N2O3
- Average molar mass
- 493.3 g/mol
- Monoisotopic mass
- 492.0255322
Names & identifiers
- Preferred name
- [(3Z)-1-[(2,4-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 3-(trifluoromethyl)benzoate
- IUPAC
- [[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-(trifluoromethyl)benzoate
- English name
- 1-(2,4-DICHLOROBENZYL)-3-(([3-(TRIFLUOROMETHYL)BENZOYL]OXY)IMINO)-1,3-DIHYDRO-2H-INDOL-2-ONE
- Molecular formula
- C23H13Cl2F3N2O3
- Molecular weight
- 493.26
Names & synonyms
[(3Z)-1-[(2,4-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino 3-(trifluoromethyl)benzoate[[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 3-(trifluoromethyl)benzoate1-(2,4-DICHLOROBENZYL)-3-(([3-(TRIFLUOROMETHYL)BENZOYL]OXY)IMINO)-1,3-DIHYDRO-2H-INDOL-2-ONE1H-Indole-2,3-dione, 1-[(2,4-dichlorophenyl)methyl]-, 3-[O-[3-(trifluoromethyl)benzoyl]oxime]
Database identifiers
- CAS
320419-54-3- PubChem CID
- 3421061
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 779
Physicochemical properties
- Boiling point
- 584.6 · 584.6±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- -1.82 · -1.82±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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