3-(Chloromethyl)cyclobutanone - CAS 175021-13-3
Catalog: |
BB013068 |
Product Name: |
3-(Chloromethyl)cyclobutanone |
CAS: |
175021-13-3 |
Synonyms: |
3-(chloromethyl)-1-cyclobutanone; 3-(chloromethyl)cyclobutan-1-one |
IUPAC Name: | 3-(chloromethyl)cyclobutan-1-one |
Description: | 3-(Chloromethyl)cyclobutanone (CAS# 175021-13-3) is a useful research chemical. |
Molecular Weight: | 118.56 |
Molecular Formula: | C5H7ClO |
Canonical SMILES: | C1C(CC1=O)CCl |
InChI: | InChI=1S/C5H7ClO/c6-3-4-1-5(7)2-4/h4H,1-3H2 |
InChI Key: | WGNWWGRZUVTWEX-UHFFFAOYSA-N |
LogP: | 1.20430 |
Publication Number | Title | Priority Date |
WO-2021018194-A1 | Heterocyclic compounds as bcr-abl inhibitors | 20190729 |
PMID | Publication Date | Title | Journal |
19696873 | 20080415 | Cyclobutane-containing alkaloids: origin, synthesis, and biological activities | The open medicinal chemistry journal |
12201774 | 20020906 | Synthesis of 2,4-methanoproline analogues via an addition-intramolecular substitution sequence | The Journal of organic chemistry |
Complexity: | 82.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.0185425 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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