4-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}benzoic acid
Basic information
- CAS
1086379-75-0- Standard SMILES
O=C(O)c1ccc(Oc2cccc(C(F)(F)F)n2)cc1- InChIKey
PSSVTMMIPLAXFT-UHFFFAOYSA-N- Molecular formula
- C13H8F3NO3
- Average molar mass
- 283.2 g/mol
- Monoisotopic mass
- 283.0456276
Names & identifiers
- Preferred name
- 4-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}benzoic acid
- IUPAC
- 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
- English name
- 4-{[6-(trifluoromethyl)pyridin-2-yl]oxy}benzoic acid
- Molecular formula
- C13H8F3NO3
- Molecular weight
- 283.2
Names & synonyms
1086379-75-04-{[6-(Trifluoromethyl)pyridin-2-yl]oxy}benzoic acid4-((6-(Trifluoromethyl)pyridin-2-yl)oxy)benzoic acid4-[6-(trifluoromethyl)pyridin-2-yl]oxybenzoic acidMFCD107035234-([6-(Trifluoromethyl)pyridin-2-yl]oxy)benzoic acidSCHEMBL14994763PSSVTMMIPLAXFT-UHFFFAOYSA-NDTXSID501220664SBB052653AKOS011050368TS-00998
Show more names
2-(4-Carboxyphenoxy)-6-(trifluoromethyl)pyridineBenzoic acid, 4-[[6-(trifluoromethyl)-2-pyridinyl]oxy]-
CS-03296904-[6-(trifluoromethyl)-2-pyridyloxy]benzoic acid4-[[6-(trifluoromethyl)-2-pyridyl]oxy]benzoic acid4-((6-(Trifluoromethyl)pyridin-2-yl)oxy)benzoicacid4-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
Database identifiers
- CAS
1086379-75-0- PubChem CID
- 28875482
- DTXSID
DTXSID501220664
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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