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

Technical Data

Patents

Literatures

Computed Properties

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

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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