Basic information
- CAS
321430-72-2- Standard SMILES
ON=Cc1cccn1-c1ncc(C(F)(F)F)cc1Cl- InChIKey
FOLSOLHOFQDVLS-UHFFFAOYSA-N- Molecular formula
- C11H7ClF3N3O
- Average molar mass
- 289.64 g/mol
Names & identifiers
- Preferred name
- N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methylidene]hydroxylamine
- IUPAC
- N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrol-2-yl]methylidene]hydroxylamine
- English name
- 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbaldehyde oxime
- Molecular formula
- C11H7ClF3N3O
- Molecular weight
- 289.64
Names & synonyms
Bionet2_0008471-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbaldehyde oxime1H-Pyrrole-2-carboxaldehyde, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-, oxime(E)-N-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrol-2-yl}methylidene)hydroxylamine
Database identifiers
- CAS
321430-72-2
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 361.9 · 361.9±42.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 10.7 · 10.70±0.10(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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