2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid
Basic information
- CAS
890090-76-3- Standard SMILES
O=C1C=CC(=C(c2ccc(O)c(Br)c2)c2ccccc2S(=O)(=O)O)C=C1Br- InChIKey
CEXGBCMYGDPODC-UHFFFAOYSA-N- Molecular formula
- C19H12Br2O5S
- Average molar mass
- 512.2 g/mol
- Monoisotopic mass
- 509.87722
Names & identifiers
- Preferred name
- 2-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid
- IUPAC
- 2-[(3-bromo-4-hydroxyphenyl)-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Names & synonyms
DTXSID7011147982-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzenesulfonic acid890090-76-32-[(3-Bromo-4-hydroxyphenyl)(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonic acid
Database identifiers
- CAS
890090-76-3- PubChem CID
- 438085
- DTXSID
DTXSID701114798
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 793
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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