Methyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate
Basic information
- CAS
70964-69-1- Standard SMILES
COC(=O)n1oc2c(Br)cc(Br)cc2c1=O- InChIKey
HDHYHLZBDDTDDB-UHFFFAOYSA-N- Molecular formula
- C9H5Br2NO4
- Average molar mass
- 350.95 g/mol
- Monoisotopic mass
- 348.85853
Names & identifiers
- Preferred name
- Methyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate
- IUPAC
- methyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2-carboxylate
Names & synonyms
70964-69-1NSC355378DTXSID50320144AG-G-77579NSC-355378Methyl 5,7-dibromo-3-oxo-1,2-benzoxazole-2(3H)-carboxylate
Database identifiers
- CAS
70964-69-1- PubChem CID
- 337444
- DTXSID
DTXSID50320144
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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