6-(Trifluoromethyl)-1-indanone - CAS 68755-37-3
Catalog: |
BB033624 |
Product Name: |
6-(Trifluoromethyl)-1-indanone |
CAS: |
68755-37-3 |
Synonyms: |
6-(trifluoromethyl)-2,3-dihydroinden-1-one |
IUPAC Name: | 6-(trifluoromethyl)-2,3-dihydroinden-1-one |
Description: | 6-(Trifluoromethyl)-1-indanone (CAS# 68755-37-3) is a useful research chemical. |
Molecular Weight: | 200.16 |
Molecular Formula: | C10H7F3O |
Canonical SMILES: | C1CC(=O)C2=C1C=CC(=C2)C(F)(F)F |
InChI: | InChI=1S/C10H7F3O/c11-10(12,13)7-3-1-6-2-4-9(14)8(6)5-7/h1,3,5H,2,4H2 |
InChI Key: | IGDFHUWAXWFKMW-UHFFFAOYSA-N |
Boiling Point: | 76-78 °C (0.2 mmHg) |
Purity: | 95 % |
Density: | 1.321 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD07772123 |
LogP: | 2.83430 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P285, P301+P312, P304+P341, P330, P342+P311, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021115375-A1 | Nitrogen-containing heterocyclic autotaxin inhibitor, and composition containing same and use thereof | 20191211 |
WO-2020257487-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20190619 |
WO-2020204733-A1 | A solvent drying composition and processes therfor | 20190403 |
US-2021171474-A1 | Glycolate oxidase inhibitors for the treatment of disease | 20171229 |
AU-2018346086-A1 | A salt recovery solution and processes of use thereof | 20171003 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.04489933 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.04489933 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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