3'-Bromo-5'-(trifluoromethyl)acetophenone - CAS 154259-25-3
Catalog: |
BB010997 |
Product Name: |
3'-Bromo-5'-(trifluoromethyl)acetophenone |
CAS: |
154259-25-3 |
Synonyms: |
1-[3-bromo-5-(trifluoromethyl)phenyl]ethanone; 1-[3-bromo-5-(trifluoromethyl)phenyl]ethanone |
IUPAC Name: | 1-[3-bromo-5-(trifluoromethyl)phenyl]ethanone |
Description: | 3'-Bromo-5'-(trifluoromethyl)acetophenone (CAS# 154259-25-3) is used as a reactant in the preparation of 2-aminothiazole derivatives as muscarinic M3 receptor positive allosteric modulators. |
Molecular Weight: | 267.04 |
Molecular Formula: | C9H6BrF3O |
Canonical SMILES: | CC(=O)C1=CC(=CC(=C1)Br)C(F)(F)F |
InChI: | InChI=1S/C9H6BrF3O/c1-5(14)6-2-7(9(11,12)13)4-8(10)3-6/h2-4H,1H3 |
InChI Key: | BVCLQCAMSFVBFX-UHFFFAOYSA-N |
LogP: | 3.67050 |
Publication Number | Title | Priority Date |
CN-113024608-A | Organic electroluminescent device and organometallic compound for organic electroluminescent device | 20191209 |
KR-20210072859-A | Organic electroluminescence device and organometallic compound for organic electroluminescence device | 20191209 |
US-2021175442-A1 | Organic electroluminescence device and organometallic compound for organic electroluminescence device | 20191209 |
WO-2020201398-A1 | Pesticidally active diazine-amide compounds | 20190405 |
TW-202104205-A | Pesticidally active diazine-amide compounds | 20190405 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.95541 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.95541 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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