Phenyl 2,6-dichloro-5-fluoronicotinate
Basic information
- CAS
680217-90-7- Standard SMILES
O=C(Oc1ccccc1)c1cc(F)c(Cl)nc1Cl- InChIKey
JLXLKHXCSJIIGF-UHFFFAOYSA-N- Molecular formula
- C12H6Cl2FNO2
- Average molar mass
- 286.08 g/mol
- Monoisotopic mass
- 284.975962
Names & identifiers
- Preferred name
- Phenyl 2,6-dichloro-5-fluoronicotinate
- IUPAC
- phenyl 2,6-dichloro-5-fluoropyridine-3-carboxylate
- English name
- Phenyl 2,6-dichloro-5-fluoronicotinate
- Molecular formula
- C12H6Cl2FNO2
- Molecular weight
- 286.09
Names & synonyms
phenyl 2,6-dichloro-5-fluoronicotinate680217-90-7phenyl 2,6-dichloro-5-fluoropyridine-3-carboxylatePhenyl 2,6-dichloro-5-fluoro-3-pyridinecarboxylateDTXSID501227939AP-501/415577283-Pyridinecarboxylic acid, 2,6-dichloro-5-fluoro-, phenyl ester
Database identifiers
- CAS
680217-90-7- PubChem CID
- 737299
- DTXSID
DTXSID501227939
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 423.3 · 423.3±45.0 °C(Predicted)
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- pka
- -5.69 · -5.69±0.10(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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