Basic information
- CAS
329937-02-2- Standard SMILES
Fc1ccc(C=Nc2ccc(Cl)cn2)cc1- InChIKey
CJVCITPBPGXBPI-UHFFFAOYSA-N- Molecular formula
- C12H8ClFN2
- Average molar mass
- 234.65 g/mol
- Monoisotopic mass
- 234.0360041
Names & identifiers
- Preferred name
- (5-Chloro-pyridin-2-yl)-(4-fluoro-benzylidene)-amine
- IUPAC
- N-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)methanimine
- English name
- (5-Chloro-pyridin-2-yl)-(4-fluoro-benzylidene)-amine
- Molecular formula
- C12H8ClFN2
- Molecular weight
- 234.66
Names & synonyms
2-[(1E)-2-(4-fluorophenyl)-1-azavinyl]-5-chloropyridineSCHEMBL7267353SCHEMBL7267356AKOS024275216ST010441(5-chloro-pyridin-2-yl)-(4-fluoro-benzylidene)-amine2-Pyridinamine, 5-chloro-N-[(4-fluorophenyl)methylene]-
Database identifiers
- CAS
329937-02-2- PubChem CID
- 710281
- EC Number
- 167-409-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 350.668 · 350.668±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.232 · 1.232±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.919 · 2.919±0.10(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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