3-chloro-2-{3-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-1-yl}-5-(trifluoromethyl)pyridine
Basic information
- CAS
338395-63-4- Standard SMILES
FC(F)(F)c1cnc(-n2cnc(COc3ccc(Cl)cc3Cl)n2)c(Cl)c1- InChIKey
RGIRUEOCIIFEMQ-UHFFFAOYSA-N- Molecular formula
- C15H8Cl3F3N4O
- Average molar mass
- 423.6 g/mol
- Monoisotopic mass
- 421.971578
Names & identifiers
- Preferred name
- 3-chloro-2-{3-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-1-yl}-5-(trifluoromethyl)pyridine
- IUPAC
- 3-chloro-2-[3-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
- English name
- (1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl)methyl 2,4-dichlorophenyl ether
- Molecular formula
- C15H8Cl3F3N4O
- Molecular weight
- 423.6
Names & synonyms
3-chloro-2-{3-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-1-yl}-5-(trifluoromethyl)pyridine338395-63-43-chloro-2-[3-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine3-Chloro-2-(3-((2,4-dichlorophenoxy)methyl)-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine3-Chloro-2-[3-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridineDTXSID601118404AKOS0050845432F-0323-CHLORO-2-(3-[(2,4-DICHLOROPHENOXY)METHYL]-1H-1,2,4-TRIAZOL-1-YL)-5-(TRIFLUOROMETHYL)PYRIDINEPyridine, 3-chloro-2-[3-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazol-1-yl]-5-(trifluoromethyl)-(1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl)methyl 2,4-dichlorophenyl ether
Database identifiers
- CAS
338395-63-4- PubChem CID
- 3433362
- DTXSID
DTXSID601118404
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Boiling point
- 526.8 · 526.8±60.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- -0.75 · -0.75±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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