2-Acetyl-5,7-dibromo-1,2-benzoxazol-3-one
Basic information
- CAS
70964-55-5- Standard SMILES
CC(=O)n1oc2c(Br)cc(Br)cc2c1=O- InChIKey
QEEQXSRGQADBFZ-UHFFFAOYSA-N- Molecular formula
- C9H5Br2NO3
- Average molar mass
- 334.95 g/mol
- Monoisotopic mass
- 332.86362
Names & identifiers
- Preferred name
- 2-Acetyl-5,7-dibromo-1,2-benzoxazol-3-one
- IUPAC
- 2-acetyl-5,7-dibromo-1,2-benzoxazol-3-one
Names & synonyms
70964-55-52-acetyl-5,7-dibromo-1,2-benzoxazol-3-oneNSC355374DTXSID10320140NSC-3553742-Acetyl-5,7-dibromo-1,2-benzoxazol-3(2H)-one
Database identifiers
- CAS
70964-55-5- PubChem CID
- 337440
- DTXSID
DTXSID10320140
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
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Compound notes
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