3-(2-Bromophenyl)-5-phenylisoxazole
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Basic information
- CAS
223576-06-5- Standard SMILES
Brc1ccccc1-c1cc(-c2ccccc2)on1- InChIKey
ZUEIFAVVHPFSOG-UHFFFAOYSA-N- Molecular formula
- C15H10BrNO
- Average molar mass
- 300.15 g/mol
Names & identifiers
- Preferred name
- 3-(2-Bromophenyl)-5-phenylisoxazole
- IUPAC
- 3-(2-bromophenyl)-5-phenyl-1,2-oxazole
- English name
- Isoxazole, 3-(2-broMophenyl)-5-phenyl-
- Molecular formula
- C15H10BrNO
- Molecular weight
- 300.15
Names & synonyms
3-(2-bromophenyl)-5-phenylisoxazole3-(2-bromophenyl)-5-phenyl-1,2-oxazoleSCHEMBL2480630Isoxazole, 3-(2-broMophenyl)-5-phenyl-
Database identifiers
- CAS
223576-06-5- Nikkaji
- J3.581.370E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 74 · 74-76 °C(Solv: tert-butanol (75-65-0); water (7732-18-5))
- Boiling point
- 427.3 · 427.3±30.0 °C(Predicted)
- Density
- 1.414 · 1.414±0.06 g/cm3(Predicted)
- pka
- -3.82 · -3.82±0.12(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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