Basic information
- CAS
339106-02-4- Standard SMILES
O=[N+]([O-])c1ccc(C(=NO)c2ncc(C(F)(F)F)cc2Cl)cc1- InChIKey
YQDJVBALVXPSBY-UHFFFAOYSA-N- Molecular formula
- C13H7ClF3N3O3
- Average molar mass
- 345.66 g/mol
Names & identifiers
- Preferred name
- N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydroxylamine
- IUPAC
- N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydroxylamine
- English name
- [3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone oxime
- Molecular formula
- C13H7ClF3N3O3
- Molecular weight
- 345.66
Names & synonyms
[3-Chloro-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)methanone oximeMethanone, [3-chloro-5-(trifluoromethyl)-2-pyridinyl](4-nitrophenyl)-, oxime(Z)-N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](4-nitrophenyl)methylidene}hydroxylamine
Database identifiers
- CAS
339106-02-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 445.4 · 445.4±45.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 7.92 · 7.92±0.14(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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