Basic information
- CAS
339010-52-5- Standard SMILES
NN=C(c1ccc([N+](=O)[O-])cc1)c1ncc(C(F)(F)F)cc1Cl- InChIKey
IBCIESJDAALVFR-UHFFFAOYSA-N- Molecular formula
- C13H8ClF3N4O2
- Average molar mass
- 344.67 g/mol
Names & identifiers
- Preferred name
- [[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine
- IUPAC
- [[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine
- English name
- [3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone hydrazone
- Molecular formula
- C13H8ClF3N4O2
- Molecular weight
- 344.68
Names & synonyms
3-chloro-2-[(4-nitrophenyl)methanehydrazonoyl]-5-(trifluoromethyl)pyridine[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone hydrazoneMethanone, [3-chloro-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)-, hydrazone
Database identifiers
- CAS
339010-52-5
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Boiling point
- 434.7 · 434.7±45.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- -4.57 · -4.57±0.39(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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