2-(Trifluoromethoxy)benzoyl chloride - CAS 162046-61-9
Catalog: |
BB011820 |
Product Name: |
2-(Trifluoromethoxy)benzoyl chloride |
CAS: |
162046-61-9 |
Synonyms: |
2-(trifluoromethoxy)benzoyl chloride |
IUPAC Name: | 2-(trifluoromethoxy)benzoyl chloride |
Description: | 2-(Trifluoromethoxy)benzoyl chloride (CAS# 162046-61-9) is a useful research chemical. |
Molecular Weight: | 224.56 |
Molecular Formula: | C8H4ClF3O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C(=O)Cl)OC(F)(F)F |
InChI: | InChI=1S/C8H4ClF3O2/c9-7(13)5-3-1-2-4-6(5)14-8(10,11)12/h1-4H |
InChI Key: | KSHPWYXAJJCUMJ-UHFFFAOYSA-N |
Boiling Point: | 94 °C |
Purity: | 95 % |
Density: | 1.44 g/cm3 |
Appearance: | White power |
MDL: | MFCD00052330 |
LogP: | 2.96420 |
GHS Hazard Statement: | H226 (84.44%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021204626-A1 | Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors | 20200406 |
CN-108690089-A | A kind of metal organic complex and its organic luminescent device | 20180619 |
JP-2021514384-A | Condensed thiophene derivatives and their use | 20180208 |
JP-2021514385-A | Non-condensed thiophene derivatives and their use | 20180208 |
CN-109928967-B | Cyclized berberine derivative and preparation method and application thereof | 20171128 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.9851915 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.9851915 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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