4-Chloro-2,2-dimethylbutanoyl Chloride - CAS 53840-39-4
Catalog: |
BB028368 |
Product Name: |
4-Chloro-2,2-dimethylbutanoyl Chloride |
CAS: |
53840-39-4 |
Synonyms: |
4-chloro-2,2-dimethylbutanoyl chloride; 4-chloro-2,2-dimethylbutanoyl chloride |
IUPAC Name: | 4-chloro-2,2-dimethylbutanoyl chloride |
Description: | 4-Chloro-2,2-dimethylbutanoyl Chloride (CAS# 53840-39-4 ) is a useful research chemical. |
Molecular Weight: | 169.05 |
Molecular Formula: | C6H10Cl2O |
Canonical SMILES: | CC(C)(CCCl)C(=O)Cl |
InChI: | InChI=1S/C6H10Cl2O/c1-6(2,3-4-7)5(8)9/h3-4H2,1-2H3 |
InChI Key: | GGYSDFKHZYXXII-UHFFFAOYSA-N |
LogP: | 2.40690 |
Publication Number | Title | Priority Date |
WO-2019035008-A1 | INHIBITORS OF CDK4 / 6 AND THEIR USE | 20170815 |
US-2021128555-A1 | Cdk4/6 inhibitors and use thereof | 20170815 |
EP-3552017-A1 | Compounds, compositions and methods | 20161209 |
JP-2020502089-A | Compounds, compositions and methods | 20161209 |
US-2019300537-A1 | Compounds, Compositions and Methods | 20161209 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0108703 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0108703 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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