Benzoxazole, 6-methyl-2-(4-methylphenyl)-
Basic information
- CAS
16155-95-6- Standard SMILES
Cc1ccc(-c2nc3ccc(C)cc3o2)cc1- InChIKey
XRCJUGBWQLFOOC-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- Benzoxazole, 6-methyl-2-(4-methylphenyl)-
- IUPAC
- 6-methyl-2-(4-methylphenyl)-1,3-benzoxazole
- English name
- 6-methyl-2-(4-methylphenyl)-1,3-benzoxazole
- Molecular formula
- C15H13NO
- Molecular weight
- 223.27
Names & synonyms
16155-95-6Benzoxazole, 6-methyl-2-(4-methylphenyl)-DTXSID30358607RefChem:328291DTXCID603096626-methyl-2-(4-methylphenyl)-1,3-benzoxazole6-Methyl-2-(p-tolyl)benzo[d]oxazoleSCHEMBL11551873AG-690/330510396-Methyl-2-(4-methylphenyl)benzoxazole
Database identifiers
- CAS
16155-95-6- PubChem CID
- 904095
- DTXSID
DTXSID30358607- Nikkaji
- J710.559B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 103 · 103-104 °C
- Boiling point
- 327.9 · 327.9±21.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- pka
- 1.54 · 1.54±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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