3-(4-Bromophenyl)cyclobutanone - CAS 254892-91-6

Catalog:	BB018928
Product Name:	3-(4-Bromophenyl)cyclobutanone
CAS:	254892-91-6
Synonyms:	3-(4-bromophenyl)-1-cyclobutanone; 3-(4-bromophenyl)cyclobutan-1-one

Technical Data

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Computed Properties

IUPAC Name:	3-(4-bromophenyl)cyclobutan-1-one
Description:	3-(4-Bromophenyl)cyclobutanone (CAS# 254892-91-6) is used in the preparations of selective T-type calcium channel blockers.
Molecular Weight:	225.08
Molecular Formula:	C10H9BrO
Canonical SMILES:	C1C(CC1=O)C2=CC=C(C=C2)Br
InChI:	InChI=1S/C10H9BrO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8H,5-6H2
InChI Key:	FOQRHYVNXUDNKL-UHFFFAOYSA-N
LogP:	2.89560

Publication Number	Title	Priority Date
US-2021094973-A1	Heterocyclic compounds	20190924
WO-2021058445-A1	New heterocyclic monoacylglycerol lipase (magl) inhibitors	20190924
CN-112142747-A	Pyrazolone pyrimidine compound, preparation method and application thereof	20190628
WO-2020259703-A1	Pyrazolopyrimidine compound, preparation method for same, and applications thereof	20190628
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619

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Related Functional Groups

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[87-88-7]
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[959574-98-2]
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[70199-62-1]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.98368
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.98368
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1