Basic information
- CAS
2582-33-4- Standard SMILES
O=C1C=CC(=Nc2cc(Br)c(O)c(Br)c2)C=C1- InChIKey
BDJFJRVBXCGYME-UHFFFAOYSA-N- Molecular formula
- C12H7Br2NO2
- Average molar mass
- 357 g/mol
- Monoisotopic mass
- 354.88435
Names & identifiers
- Preferred name
- 2,6-Dibromo-N-4-hydroxyphenyl-p-benzoquinone monoimine
- IUPAC
- 4-(3,5-dibromo-4-hydroxyphenyl)iminocyclohexa-2,5-dien-1-one
- English name
- 2,6-dibromo-N-4-hydroxyphenyl-p-benzoquinone monoimine
- Molecular formula
- C12H7Br2NO2
- Molecular weight
- 357
Names & synonyms
2582-33-42,6-Dibromo-N-4-hydroxyphenyl-p-benzoquinone monoimineEINECS 219-957-22,6-Dibromindophenol4-[(3,5-dibromo-4-hydroxyphenyl)imino]cyclohexa-2,5-dien-1-oneSCHEMBL1786026DTXSID20948718WCUVWZMIHNUBFZ-UHFFFAOYSA-NNS000818692,5-Cyclohexadien-1-one, 4-(3,5-dibromo-4-hydroxyphenyl)imino-2,6-Dibromo-4-[(4-hydroxyphenyl)imino]-2,5-cyclohexadien-1-one2,5-Cyclohexadien-1-one, 2,6-dibromo-4-[(4-hydroxyphenyl)imino]-
Database identifiers
- CAS
2582-33-4- PubChem CID
- 75746
- DTXSID
DTXSID20948718- EC Number
- 219-957-2
- Nikkaji
- J192.093F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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