5-[(4-Chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
Basic information
- CAS
478066-25-0- Standard SMILES
Cc1cc(Cl)ccc1OCc1cc(-c2ccccc2)no1- InChIKey
QFGBHXXFEVWQJQ-UHFFFAOYSA-N- Molecular formula
- C17H14ClNO2
- Average molar mass
- 299.7 g/mol
Names & identifiers
- Preferred name
- 5-[(4-Chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
- IUPAC
- 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
- English name
- 4-Chloro-2-methylphenyl (3-phenyl-5-isoxazolyl)methyl ether
- Molecular formula
- C17H14ClNO2
- Molecular weight
- 299.75
Names & synonyms
5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole478066-25-0Oprea1_8135094-chloro-2-methylphenyl (3-phenyl-5-isoxazolyl)methyl etherAKOS0051008307M-312S5-[(4-CHLORO-2-METHYLPHENOXY)METHYL]-3-PHENYLISOXAZOLEIsoxazole, 5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-
Database identifiers
- CAS
478066-25-0
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 459.3 · 459.3±40.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- -2.89 · -2.89±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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