2-Amino-4'-(trifluoromethyl)acetophenone Hydrochloride - CAS 339-58-2
Catalog: |
BB021912 |
Product Name: |
2-Amino-4'-(trifluoromethyl)acetophenone Hydrochloride |
CAS: |
339-58-2 |
Synonyms: |
2-amino-1-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride; 2-amino-1-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride |
IUPAC Name: | 2-amino-1-[4-(trifluoromethyl)phenyl]ethanone;hydrochloride |
Description: | 2-Amino-4'-(trifluoromethyl)acetophenone Hydrochloride (CAS# 339-58-2) is a useful research chemical. |
Molecular Weight: | 239.62 |
Molecular Formula: | C9H9ClF3NO |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CN)C(F)(F)F.Cl |
InChI: | InChI=1S/C9H8F3NO.ClH/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13;/h1-4H,5,13H2;1H |
InChI Key: | APBKZMJARWKEJO-UHFFFAOYSA-N |
LogP: | 3.34910 |
Publication Number | Title | Priority Date |
AU-2016338992-A1 | Dopamine D3 receptor antagonists having a morpholine moiety | 20151013 |
CA-3001649-A1 | Dopamine d3 receptor antagonists having a morpholine moiety | 20151013 |
EP-3362446-A1 | Dopamine d3 receptor antagonists having a morpholine moiety | 20151013 |
GB-2543296-A | Dopamine D3 receptor antagonists having a morpholine moiety | 20151013 |
US-10577361-B2 | Dopamine D3 receptor antagonists having a morpholine moiety | 20151013 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.0324761 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.0324761 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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