1-(4-Bromophenyl)ethane-1,2-diol - CAS 92093-23-7
Catalog: |
BB070994 |
Product Name: |
1-(4-Bromophenyl)ethane-1,2-diol |
CAS: |
92093-23-7 |
Synonyms: |
1-(4-bromophenyl)ethane-1,2-diol; 1,2-Ethanediol, 1-(4-bromophenyl)-, (1S)-; 1,2-Ethanediol-(p-bromophenyl)- |
IUPAC Name: | 1-(4-bromophenyl)ethane-1,2-diol |
Description: | 1-(4-Bromophenyl)ethane-1,2-diol is used as a reactant in the regioselective palladium-catalyzed O,S rearrangement of cyclic thiocarbonates. |
Molecular Weight: | 217.06 |
Molecular Formula: | C8H9BrO2 |
Canonical SMILES: | C1=CC(=CC=C1C(CO)O)Br |
InChI: | InChI=1S/C8H9BrO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2 |
InChI Key: | ZDPJGAWPRHNQHI-UHFFFAOYSA-N |
Complexity: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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