Methyl 5-bromo-2-oxo-1,3-benzoxazole-3-carboxylate
Basic information
- CAS
70672-81-0- Standard SMILES
COC(=O)n1c(=O)oc2ccc(Br)cc21- InChIKey
IJRWWGUYWBWBLP-UHFFFAOYSA-N- Molecular formula
- C9H6BrNO4
- Average molar mass
- 272.05 g/mol
- Monoisotopic mass
- 270.94802
Names & identifiers
- Preferred name
- Methyl 5-bromo-2-oxo-1,3-benzoxazole-3-carboxylate
- IUPAC
- methyl 5-bromo-2-oxo-1,3-benzoxazole-3-carboxylate
Names & synonyms
methyl 5-bromo-2-oxo-1,3-benzoxazole-3-carboxylate70672-81-0DTXSID20320136RefChem:356017DTXCID60271259NSC355370NSC-355370Methyl 5-bromo-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
Database identifiers
- CAS
70672-81-0- PubChem CID
- 337436
- DTXSID
DTXSID20320136
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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