2-Bromo-3'-(trifluoromethoxy)acetophenone - CAS 237386-01-5
Catalog: |
BB018167 |
Product Name: |
2-Bromo-3'-(trifluoromethoxy)acetophenone |
CAS: |
237386-01-5 |
Synonyms: |
2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone; 2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone |
IUPAC Name: | 2-bromo-1-[3-(trifluoromethoxy)phenyl]ethanone |
Description: | 2-Bromo-3'-(trifluoromethoxy)acetophenone (CAS# 237386-01-5) is a useful research chemical. |
Molecular Weight: | 283.04 |
Molecular Formula: | C9H6BrF3O2 |
Canonical SMILES: | C1=CC(=CC(=C1)OC(F)(F)F)C(=O)CBr |
InChI: | InChI=1S/C9H6BrF3O2/c10-5-8(14)6-2-1-3-7(4-6)15-9(11,12)13/h1-4H,5H2 |
InChI Key: | QUKYVVGHLJGVEQ-UHFFFAOYSA-N |
MDL: | MFCD03094425 |
LogP: | 3.16280 |
Publication Number | Title | Priority Date |
WO-2021204856-A1 | N-cyanopyrrolidines with activity as usp30 inhibitors | 20200408 |
US-2021230153-A1 | Aryl hydrocarbon receptor (ahr) agonists and uses thereof | 20191220 |
WO-2021127301-A1 | 4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders | 20191220 |
WO-2021116178-A1 | Pyrazolotriazines | 20191211 |
WO-2021063915-A1 | Antibacterial compounds | 20190930 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.95033 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.95033 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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