Ethyl 2-Bromo-4,4,4-trifluorobutanoate - CAS 367-33-9
Catalog: |
BB023055 |
Product Name: |
Ethyl 2-Bromo-4,4,4-trifluorobutanoate |
CAS: |
367-33-9 |
Synonyms: |
2-bromo-4,4,4-trifluorobutanoic acid ethyl ester; ethyl 2-bromo-4,4,4-trifluorobutanoate |
IUPAC Name: | ethyl 2-bromo-4,4,4-trifluorobutanoate |
Description: | Ethyl 2-Bromo-4,4,4-trifluorobutanoate (CAS# 367-33-9) is a useful research chemical. |
Molecular Weight: | 249.03 |
Molecular Formula: | C6H8BrF3O2 |
Canonical SMILES: | CCOC(=O)C(CC(F)(F)F)Br |
InChI: | InChI=1S/C6H8BrF3O2/c1-2-12-5(11)4(7)3-6(8,9)10/h4H,2-3H2,1H3 |
InChI Key: | POVYUFTVLGOXEE-UHFFFAOYSA-N |
Boiling Point: | 154.4 ℃ at 760 mmHg |
Density: | 1.546 g/cm3 |
MDL: | MFCD10687235 |
LogP: | 2.26540 |
Publication Number | Title | Priority Date |
AU-2014231567-A1 | Pyrrolo[2,3-b]pyridine CDK9 kinase inhibitors | 20130314 |
EP-2970278-A1 | Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors | 20130314 |
JP-2016514113-A | Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitor | 20130314 |
US-2016060257-A1 | Pyrrolo [2,3-b] pyridine cdk9 kinase inhibitors | 20130314 |
US-9796708-B2 | Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors | 20130314 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.96598 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.96598 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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