Basic information
- CAS
97872-28-1- Standard SMILES
CC(C)(NC(=O)C(Br)(Br)c1noc2ccccc12)c1ccccc1- InChIKey
KQMLHEIQVQWSIL-UHFFFAOYSA-N- Molecular formula
- C18H16Br2N2O2
- Average molar mass
- 452.1 g/mol
- Monoisotopic mass
- 449.95785
Names & identifiers
- Preferred name
- 1,2-Benzisoxazole-3-acetamide, alpha,alpha-dibromo-N-(1-methyl-1-phenylethyl)-
- IUPAC
- 2-(1,2-benzoxazol-3-yl)-2,2-dibromo-N-(2-phenylpropan-2-yl)acetamide
Names & synonyms
1,2-Benzisoxazole-3-acetamide, alpha,alpha-dibromo-N-(1-methyl-1-phenylethyl)-97872-28-1DTXSID502433242-(1,2-benzoxazol-3-yl)-2,2-dibromo-N-(2-phenylpropan-2-yl)acetamide
Database identifiers
- CAS
97872-28-1- PubChem CID
- 178994
- DTXSID
DTXSID50243324
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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