Basic information
- CAS
338392-33-9- Standard SMILES
ON=Cc1cccn1-c1ccccc1F- InChIKey
HMBBKNMWCKFKMB-UHFFFAOYSA-N- Molecular formula
- C11H9FN2O
- Average molar mass
- 204.2 g/mol
- Monoisotopic mass
- 204.06989108
Names & identifiers
- Preferred name
- N-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]hydroxylamine
- IUPAC
- N-[[1-(2-fluorophenyl)pyrrol-2-yl]methylidene]hydroxylamine
- English name
- 1-(2-FLUOROPHENYL)-1H-PYRROLE-2-CARBALDEHYDE OXIME
- Molecular formula
- C11H9FN2O
- Molecular weight
- 204.2
Names & synonyms
Bionet2_000407SCHEMBL278279481-(2-FLUOROPHENYL)-1H-PYRROLE-2-CARBALDEHYDE OXIME1H-Pyrrole-2-carboxaldehyde, 1-(2-fluorophenyl)-, oxime(E)-N-{[1-(2-fluorophenyl)-1H-pyrrol-2-yl]methylidene}hydroxylamine
Database identifiers
- CAS
338392-33-9- PubChem CID
- 1490668
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Boiling point
- 332.6 · 332.6±22.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 10.96 · 10.96±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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