2-Iodobenzotrifluoride - CAS 444-29-1
Catalog: |
BB025611 |
Product Name: |
2-Iodobenzotrifluoride |
CAS: |
444-29-1 |
Synonyms: |
1-iodo-2-(trifluoromethyl)benzene; 1-iodo-2-(trifluoromethyl)benzene |
IUPAC Name: | 1-iodo-2-(trifluoromethyl)benzene |
Description: | 2-Iodobenzotrifluoride acts as a reagent in the preparation, cyclooxygenase-1 inhibitory activity, and docking studies of aminoalkoxyphenylbenzamides. Prepartion and SAR of tricyclic 4,4-dimethyl-3,4-dihydrochromeno[3,4-d]imidazole derivatives as microsomal prostaglandin E2 synthase-1 (mPGES-1) inhibitors. |
Molecular Weight: | 272.01 |
Molecular Formula: | C7H4F3I |
Canonical SMILES: | C1=CC=C(C(=C1)C(F)(F)F)I |
InChI: | InChI=1S/C7H4F3I/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H |
InChI Key: | IGZGUYVVBABKOY-UHFFFAOYSA-N |
Boiling Point: | 197-198 °C |
Density: | 1.896 g/cm3 |
MDL: | MFCD00001041 |
LogP: | 3.31000 |
Publication Number | Title | Priority Date |
CN-113087691-A | Method for synthesizing chiral aryl tertiary alcohol and benzopyran compound based on kinetic resolution strategy | 20210326 |
KR-20210111588-A | Method of manufacturing bis(trifluoromehtyl)biphenyl compound | 20200303 |
CN-111484503-A | Mikanolide derivative and preparation method and application thereof | 20200110 |
WO-2021061515-A1 | Shp2 inhibitors and uses thereof | 20190923 |
CN-110483223-A | The method that pyridine palladium efficient catalytic prepares diaryl ketone compound | 20190911 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.93098 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.93098 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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