3-(4-Bromophenyl)-5-hydroxyisoxazole - CAS 1354930-93-0
Catalog: |
BB008191 |
Product Name: |
3-(4-Bromophenyl)-5-hydroxyisoxazole |
CAS: |
1354930-93-0 |
Synonyms: |
3-(4-bromophenyl)-2H-isoxazol-5-one; 3-(4-bromophenyl)-2H-1,2-oxazol-5-one |
IUPAC Name: | 3-(4-bromophenyl)-2H-1,2-oxazol-5-one |
Description: | 3-(4-Bromophenyl)-5-hydroxyisoxazole (CAS# 1354930-93-0 ) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C9H6BrNO2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=O)ON2)Br |
InChI: | InChI=1S/C9H6BrNO2/c10-7-3-1-6(2-4-7)8-5-9(12)13-11-8/h1-5,11H |
InChI Key: | SJZVBCDBPNOPHV-UHFFFAOYSA-N |
LogP: | 2.80970 |
Publication Number | Title | Priority Date |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
WO-2021090245-A1 | Pyrrolidine and piperidine compounds | 20191106 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Related Functional Groups
Oxazole/Thiazole
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