Basic information
- CAS
70672-80-9- Standard SMILES
COC(=O)n1oc2ccc(Br)cc2c1=O- InChIKey
XQXLOINGDRPGMD-UHFFFAOYSA-N- Molecular formula
- C9H6BrNO4
- Average molar mass
- 272.05 g/mol
- Monoisotopic mass
- 270.94802
Names & identifiers
- Preferred name
- Methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate
- IUPAC
- methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate
Names & synonyms
70672-80-9methyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylateNSC355377DTXSID90320143NSC-355377Methyl 5-bromo-3-oxo-1,2-benzoxazole-2(3H)-carboxylate
Database identifiers
- CAS
70672-80-9- PubChem CID
- 337443
- DTXSID
DTXSID90320143
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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