Ethyl 2-Bromo-4,5-difluorobenzoate - CAS 144267-97-0
Catalog: |
BB009754 |
Product Name: |
Ethyl 2-Bromo-4,5-difluorobenzoate |
CAS: |
144267-97-0 |
Synonyms: |
2-bromo-4,5-difluorobenzoic acid ethyl ester; ethyl 2-bromo-4,5-difluorobenzoate |
IUPAC Name: | ethyl 2-bromo-4,5-difluorobenzoate |
Description: | Ethyl 2-Bromo-4,5-difluorobenzoate (CAS# 144267-97-0) is used in preparation of Nitrogen-containing Macrocyclic compounds useful as BRD4 inhibitors for the treatment of inflammatory disease, cancer, and autoimmune disease. |
Molecular Weight: | 265.05 |
Molecular Formula: | C9H7BrF2O2 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1Br)F)F |
InChI: | InChI=1S/C9H7BrF2O2/c1-2-14-9(13)5-3-7(11)8(12)4-6(5)10/h3-4H,2H2,1H3 |
InChI Key: | JPLCUBDTWNDHCL-UHFFFAOYSA-N |
Boiling Point: | 266.6 ℃ at 760 mmHg |
Density: | 1.573 g/cm3 |
LogP: | 2.90400 |
Publication Number | Title | Priority Date |
EP-3539960-A1 | Nitrogenous macrocyclic compound, preparation method therefor, pharmaceutical composition and application thereof | 20161110 |
US-2019284192-A1 | Nitrogenous macrocyclic compound, preparation method therefor, pharmaceutical composition and application thereof | 20161110 |
WO-2018086605-A1 | Nitrogenous macrocyclic compound, preparation method therefor, pharmaceutical composition and application thereof | 20161110 |
US-2018080314-A1 | Method of allocating individual oil or water production contributions from multiple combined sources | 20160921 |
WO-2018057219-A1 | Method of allocating individual oil or water production contributions from multiple combined sources | 20160921 |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.95975 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.95975 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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