Basic information
- CAS
321433-61-8- Standard SMILES
O=C(O)CC(=O)Nc1ccccc1Oc1ncc(C(F)(F)F)cc1Cl- InChIKey
SIEKBQPWGCCNGS-UHFFFAOYSA-N- Molecular formula
- C15H10ClF3N2O4
- Average molar mass
- 374.7 g/mol
Names & identifiers
- Preferred name
- 3-(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-3-oxopropanoic acid
- IUPAC
- 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoic acid
- English name
- 3-(2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)anilino)-3-oxopropanoic acid
- Molecular formula
- C15H10ClF3N2O4
- Molecular weight
- 374.7
Names & synonyms
321433-61-83-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-3-oxopropanoic acidMFCD009755423-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]-3-oxopropanoic acid2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]acetic acidC15H10ClF3N2O4SCHEMBL1009083SCHEMBL29548930SIEKBQPWGCCNGS-UHFFFAOYSA-NAKOS0050827361K-0022-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]aceticacid
Show more names
3-(2-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)anilino)-3-oxopropanoic acidPropanoic acid, 3-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]-3-oxo-
3-((2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)amino)-3-oxopropanoic acid3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]anilino]-3-oxo-propanoic acid
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Boiling point
- 506.7 · 506.7±50.0 °C(Predicted)
- Density
- 1.542 · 1.542±0.06 g/cm3(Predicted)
- pka
- 3.38 · 3.38±0.32(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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