Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1cc(Br)cc(/C=N/O)c1- InChIKey
NSZYCRSBZIPKGS-VGOFMYFVSA-N- Molecular formula
- C12H14BrNO3
- Average molar mass
- 300.15 g/mol
- Monoisotopic mass
- 299.01571
Names & identifiers
- Preferred name
- tert-butyl 3-bromo-5-[(E)-hydroxyiminomethyl]benzoate
- IUPAC
- tert-butyl 3-bromo-5-[(E)-hydroxyiminomethyl]benzoate
Names & synonyms
SCHEMBL1070064
Database identifiers
- PubChem CID
- 58096166
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
3 records
Compound notes
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