Ethyl 4-bromobenzo[d]isoxazole-3-carboxylate
Basic information
- CAS
1352398-39-0- Standard SMILES
CCOC(=O)c1noc2cccc(Br)c12- InChIKey
BRQZKGFINOTWCX-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO3
- Average molar mass
- 270.08 g/mol
- Monoisotopic mass
- 268.96876
Names & identifiers
- Preferred name
- Ethyl 4-bromobenzo[d]isoxazole-3-carboxylate
- IUPAC
- ethyl 4-bromo-1,2-benzoxazole-3-carboxylate
- English name
- Ethyl 4-bromobenzo[d]isoxazole-3-carboxylate
- Molecular formula
- C10H8BrNO3
- Molecular weight
- 270.08
Names & synonyms
Ethyl 4-bromobenzo[d]isoxazole-3-carboxylate1352398-39-0ethyl 4-bromo-1,2-benzoxazole-3-carboxylateMFCD20923252AKOS027393602DS-18732Ethyl4-bromobenzo[d]isoxazole-3-carboxylateO117901,2-Benzisoxazole-3-carboxylic acid, 4-bromo-, ethyl ester
Database identifiers
- CAS
1352398-39-0- PubChem CID
- 74889526
- EC Number
- 190-877-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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