Basic information
- CAS
23253-50-1- Standard SMILES
Ic1conc1-c1ccccc1- InChIKey
NEVGSUVHFIAAFZ-UHFFFAOYSA-N- Molecular formula
- C9H6INO
- Average molar mass
- 271.05 g/mol
- Monoisotopic mass
- 270.94941
Names & identifiers
- Preferred name
- 4-Iodo-3-phenylisoxazole
- IUPAC
- 4-iodo-3-phenyl-1,2-oxazole
- English name
- 4-Iodo-3-phenylisoxazole
- Molecular formula
- C9H6INO
- Molecular weight
- 271.05
Names & synonyms
4-Iodo-3-phenylisoxazole23253-50-14-iodo-3-phenyl-1,2-oxazoleIsoxazole, 4-iodo-3-phenyl-4-Iodo-3-phenylisoxazole #SCHEMBL27217198DTXSID30347576NEVGSUVHFIAAFZ-UHFFFAOYSA-N
Database identifiers
- CAS
23253-50-1- PubChem CID
- 623157
- DTXSID
DTXSID30347576- Nikkaji
- J112.495A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 95.5 · 95.5-96.5 °C
- Boiling point
- 355.3 · 355.3±30.0 °C(Predicted)
- Density
- 1.773 · 1.773±0.06 g/cm3(Predicted)
- pka
- -4.33 · -4.33±0.50(Predicted)
Chemistry & industry
Suppliers1 total
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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