3',4'-Difluoro-2-hydroxyacetophenone - CAS 218449-33-3
Catalog: |
BB017169 |
Product Name: |
3',4'-Difluoro-2-hydroxyacetophenone |
CAS: |
218449-33-3 |
Synonyms: |
1-(3,4-difluorophenyl)-2-hydroxyethanone; 1-(3,4-difluorophenyl)-2-hydroxyethanone |
IUPAC Name: | 1-(3,4-difluorophenyl)-2-hydroxyethanone |
Description: | 3',4'-Difluoro-2-hydroxyacetophenone (CAS# 218449-33-3 ) is a useful research chemical. |
Molecular Weight: | 172.13 |
Molecular Formula: | C8H6F2O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)CO)F)F |
InChI: | InChI=1S/C8H6F2O2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,11H,4H2 |
InChI Key: | HAVVMASNZMVOKG-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
WO-2019201297-A1 | Benzopyrazole compound used as rho kinase inhibitor | 20180418 |
EP-3782987-A1 | Benzopyrazole compound used as rho kinase inhibitor | 20180418 |
AU-2018309356-A1 | Dihydrooxadiazinones | 20170804 |
EP-3661517-A1 | Dihydrooxadiazinones | 20170804 |
KR-20200036914-A | Dihydrooxadiazinone | 20170804 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.03358575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.03358575 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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