3-(2,5-Difluorophenyl)-5-hydroxyisoxazole - CAS 1593865-40-7
Catalog: |
BB011530 |
Product Name: |
3-(2,5-Difluorophenyl)-5-hydroxyisoxazole |
CAS: |
1593865-40-7 |
Synonyms: |
3-(2,5-difluorophenyl)-2H-isoxazol-5-one; 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one |
IUPAC Name: | 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one |
Description: | 3-(2,5-Difluorophenyl)-5-hydroxyisoxazole (CAS# 1593865-40-7 ) is a useful research chemical. |
Molecular Weight: | 197.14 |
Molecular Formula: | C9H5F2NO2 |
Canonical SMILES: | C1=CC(=C(C=C1F)C2=CC(=O)ON2)F |
InChI: | InChI=1S/C9H5F2NO2/c10-5-1-2-7(11)6(3-5)8-4-9(13)14-12-8/h1-4,12H |
InChI Key: | MDDWTJUGZFQNOV-UHFFFAOYSA-N |
LogP: | 2.32540 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.02883473 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.02883473 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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