Basic information
- CAS
316131-50-7- Standard SMILES
Oc1c(Cl)cc(Cl)cc1C=Nc1ccc(F)cc1- InChIKey
KQIBIFGOGGLEGX-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2FNO
- Average molar mass
- 284.11 g/mol
- Monoisotopic mass
- 282.9966974
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-((4-fluoro-phenylimino)-methyl)-phenol
- IUPAC
- 2,4-dichloro-6-[(4-fluorophenyl)iminomethyl]phenol
- English name
- 2,4-dichloro-6-{[(4-fluorophenyl)imino]methyl}phenol
- Molecular formula
- C13H8Cl2FNO
- Molecular weight
- 284.11
Names & synonyms
2-[(1E)-2-(4-fluorophenyl)-2-azavinyl]-4,6-dichlorophenolSCHEMBL13639923AKOS003407779ST0104752,4-DICHLORO-6-((4-FLUORO-PHENYLIMINO)-METHYL)-PHENOL2,4-dichloro-6-{[(4-fluorophenyl)imino]methyl}phenol
Database identifiers
- CAS
316131-50-7- PubChem CID
- 699893
- EC Number
- 167-449-3
- Nikkaji
- J1.900.063J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Boiling point
- 404.739 · 404.739±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.363 · 1.363±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 6.189 · 6.189±0.48(predicted)
Chemistry & industry
Suppliers2 total
Ryan Scientific, Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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