4-bromo-1-(p-tolyl)-1H-imidazole
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Basic information
- CAS
1353856-88-8- Standard SMILES
Cc1ccc(-n2cnc(Br)c2)cc1- InChIKey
UXVDZACHSYPTTP-UHFFFAOYSA-N- Molecular formula
- C10H9BrN2
- Average molar mass
- 237.1 g/mol
Names & identifiers
- Preferred name
- 4-bromo-1-(p-tolyl)-1H-imidazole
- IUPAC
- 4-bromo-1-(4-methylphenyl)imidazole
- English name
- 4-Bromo-1-(4-tolyl)-1H-imidazole
- Molecular formula
- C10H9BrN2
- Molecular weight
- 237.1
Names & synonyms
4-bromo-1-(p-tolyl)-1H-imidazole1353856-88-84-BROMO-1-(4-TOLYL)-1H-IMIDAZOLE4-bromo-1-(4-methylphenyl)imidazole4-bromo-1-(p-tolyl)imidazoleAKOS015945302CS-43692CS-03721631H-Imidazole, 4-bromo-1-(4-methylphenyl)-E82756F759466
Database identifiers
- CAS
1353856-88-8
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 343.8 · 343.8±25.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 2.86 · 2.86±0.61(Predicted)
- Appearance
- White to light yellow Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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