2-Acetyl-4-(trifluoromethyl)phenol - CAS 67589-15-5
Catalog: |
BB054866 |
Product Name: |
2-Acetyl-4-(trifluoromethyl)phenol |
CAS: |
67589-15-5 |
Synonyms: |
1-(2-Hydroxy-5-(trifluoromethyl)phenyl)ethanone; 1-(2-HYDROXY-5-TRIFLUOROMETHYL-PHENYL)-ETHANONE; 1-[2-hydroxy-5-(trifluoromethyl)phenyl]ethanone; 1-(2-hydroxy-5-(trifluoromethyl)phenyl)ethan-1-one; 1-[2-hydroxy-5-(trifluoromethyl)phenyl]ethan-1-one; 2'-Hydroxy-5'-(trifluoromethyl)acetophenone |
IUPAC Name: | 1-[2-hydroxy-5-(trifluoromethyl)phenyl]ethanone |
Molecular Weight: | 204.15 |
Molecular Formula: | C9H7F3O2 |
Canonical SMILES: | CC(=O)C1=C(C=CC(=C1)C(F)(F)F)O |
InChI: | InChI=1S/C9H7F3O2/c1-5(13)7-4-6(9(10,11)12)2-3-8(7)14/h2-4,14H,1H3 |
InChI Key: | BRSHLOIZDJDEPI-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020132603-A2 | Salicyl-adenosinemonosulfamate analogs and uses thereof | 20181221 |
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JP-2013531028-A | Chemical compound | 20100709 |
JP-5872552-B2 | Chemical compound | 20100709 |
US-2013109667-A1 | Chemical Compounds | 20100709 |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.03981395 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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