Acetamide, 2-bromo-N-(3-phenyl-5-isoxazolyl)-
Basic information
- CAS
37852-59-8- Standard SMILES
O=C(CBr)Nc1cc(-c2ccccc2)no1- InChIKey
ZWCYNKMAYQTQBA-UHFFFAOYSA-N- Molecular formula
- C11H9BrN2O2
- Average molar mass
- 281.1 g/mol
- Monoisotopic mass
- 279.98474
Names & identifiers
- Preferred name
- Acetamide, 2-bromo-N-(3-phenyl-5-isoxazolyl)-
- IUPAC
- 2-bromo-N-(3-phenyl-1,2-oxazol-5-yl)acetamide
- English name
- 2-Bromo-N-(3-phenyl-5-isoxazolyl)acetamide
- Molecular formula
- C11H9BrN2O2
- Molecular weight
- 281.11
Names & synonyms
37852-59-8Acetamide, 2-bromo-N-(3-phenyl-5-isoxazolyl)-RefChem:10752772-Bromo-N-(3-phenyl-5-isoxazolyl)acetamide2-bromo-n-(3-phenyl-1,2-oxazol-5-yl)acetamide2-Bromo-N-(3-phenylisoxazol-5-yl)acetamideDTXSID90958884Bromo-N-(3-phenyl-1,2-oxazol-5-yl)ethanimidic acid2-Bromo-N-(3-phenyl-1,2-oxazol-5-yl)ethanimidic acid
Database identifiers
- CAS
37852-59-8- PubChem CID
- 216894
- DTXSID
DTXSID90958884
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 504.9 · 504.9±45.0 °C(Predicted)
- Density
- 1.588 · 1.588±0.06 g/cm3(Predicted)
- pka
- 10 · 10+-.0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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