6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one
Basic information
- CAS
53848-15-0- Standard SMILES
Oc1ccc(Br)cc1C=NCc1ccccc1- InChIKey
SJEGBGIPJQOGGF-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO
- Average molar mass
- 290.15 g/mol
- Monoisotopic mass
- 289.01023
Names & identifiers
- Preferred name
- 6-[(Benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-one
- IUPAC
- 2-(benzyliminomethyl)-4-bromophenol
Names & synonyms
2-[(benzylimino)methyl]-4-bromophenol53848-15-02-[(E)-(benzylimino)methyl]-4-bromophenol6-[(benzylamino)methylidene]-4-bromocyclohexa-2,4-dien-1-oneTimTec1_002659Phenol, 4-bromo-2-[[(phenylmethyl)imino]methyl]-SCHEMBL4751968SCHEMBL4751970DTXSID90425167HMS1541I19STK051251AKOS000487813
Show more names
NCGC00173882-01ST034967DB-3806254-Bromo-2-[[(phenylmethyl)imino]methyl]phenol2-((1E)-3-phenyl-2-azaprop-1-enyl)-4-bromophenol
Database identifiers
- CAS
53848-15-0- PubChem CID
- 681192
- DTXSID
DTXSID90425167- Nikkaji
- J658.036J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
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Related reactions
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Compound notes
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