4-Bromo-2-(trifluoromethyl)benzoyl Chloride - CAS 104356-17-4
Catalog: |
BB001383 |
Product Name: |
4-Bromo-2-(trifluoromethyl)benzoyl Chloride |
CAS: |
104356-17-4 |
Synonyms: |
4-bromo-2-(trifluoromethyl)benzoyl chloride; 4-bromo-2-(trifluoromethyl)benzoyl chloride |
IUPAC Name: | 4-bromo-2-(trifluoromethyl)benzoyl chloride |
Description: | 4-Bromo-2-(trifluoromethyl)benzoyl Chloride (CAS# 104356-17-4) is a useful research chemical. |
Molecular Weight: | 287.46 |
Molecular Formula: | C8H3BrClF3O |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(F)(F)F)C(=O)Cl |
InChI: | InChI=1S/C8H3BrClF3O/c9-4-1-2-5(7(10)14)6(3-4)8(11,12)13/h1-3H |
InChI Key: | SPIPCSMQAATVLA-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD13185394 |
LogP: | 3.84690 |
Publication Number | Title | Priority Date |
WO-2020132792-A1 | 2-benzoyl malonate compound, preparation method therefor and application thereof | 20181224 |
CN-111348996-A | 2-benzoyl malonate compound, preparation method and application thereof | 20181224 |
JP-2010006707-A | Medicine containing thiazepine derivative | 20080624 |
EP-2119719-A1 | Thiazepine derivative | 20061226 |
JP-WO2008078725-A1 | Thiazepine derivatives | 20061226 |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.90079 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.90079 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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