3-Bromo-3,5-cyclohexadiene-1,2-diol
3-bromocyclohexa-3,5-diene-1,2-diol
Also Known As: 2,3-Dhdbb|Bromobenzene-2,3-dihydrodiol|ACMC-20apqf|ACMC-20muqh|Bromobenzene 2,3-dihydrodiol|3-Bromo-3,5-cyclohexadiene-1,2-diol|3-bromocyclohexa-3,5-diene-1,2-diol|Bromobenzene cis-1,2-dihydrodiol|3,5-Cyclohexadiene-1,2-diol, 3-bromo-|3-bromocyclohex-3,5-dien-1,2-diol|2-bromocyclohexa-2,4-diene-1,6-diol|(1S-cis)-3-Bromo-3,5-cyclohexadiene-1,2-diol|(1S,2S)-3-Bromocyclohexa-3,5-diene-1,2-diol|1-bromo-2,3-dihydroxy-cyclohexa-4,6-diene|J2.790.486F|3,5-Cyclohexadiene-1,2-diol, 3-bromo-, cis-|(1S,2S)-3-Bromocyclohexa-3,5-diene-1,2-diol (0.2 g/mL in 0.1 M phosphate buffer, 96%)
| Molecular Formula | C1=CC(C(C(=C1)Br)O)O |
|---|---|
| Molecular Weight | 189.96294 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.96294 |
| Monoisotopic Mass | 189.96294 |
| Heavy Atoms | 9 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 87644-22-2 |
|---|---|
| SMILES | C1=CC(C(C(=C1)Br)O)O |
| InChIKey | KLPGXZKAVBGFGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromo-3,5-cyclohexadiene-1,2-diol (CAS 87644-22-2), with molecular formula C1=CC(C(C(=C1)Br)O)O and molecular weight 189.96294 g/mol. IUPAC: 3-bromocyclohexa-3,5-diene-1,2-diol.