Basic information
- CAS
6218-74-2- Standard SMILES
Cc1ccc(-c2noc(-c3cccc(I)c3)n2)cc1- InChIKey
UMAKDYLCOFGWDH-UHFFFAOYSA-N- Molecular formula
- C15H11IN2O
- Average molar mass
- 362.16 g/mol
- Monoisotopic mass
- 361.99161
Names & identifiers
- Preferred name
- 5-(3-Iodophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
- IUPAC
- 5-(3-iodophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
- English name
- 5-(3-iodophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
- Molecular formula
- C15H11IN2O
- Molecular weight
- 362.17
Names & synonyms
5-(3-iodophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole6218-74-2DTXSID30359952STK336387AKOS003301403AG-670/155462025-(3-iodophenyl)-3-(p-tolyl)-1,2,4-oxadiazole1,2,4-Oxadiazole, 5-(3-iodophenyl)-3-(4-methylphenyl)-
Database identifiers
- CAS
6218-74-2- PubChem CID
- 1047634
- DTXSID
DTXSID30359952
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Boiling point
- 459.7 · 459.7±55.0 °C(Predicted)
- Density
- 1.591 · 1.591±0.06 g/cm3(Predicted)
- pka
- -2.23 · -2.23±0.44(Predicted)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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