3-(4-Bromobenzoyl)propionic acid - CAS 6340-79-0

Catalog:	BB032130
Product Name:	3-(4-Bromobenzoyl)propionic acid
CAS:	6340-79-0
Synonyms:	4-(4-bromophenyl)-4-oxobutanoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-(4-bromophenyl)-4-oxobutanoic acid
Description:	3-(4-Bromobenzoyl)propionic acid (CAS# 6340-79-0) is a useful research chemical.
Molecular Weight:	257.08
Molecular Formula:	C10H9BrO3
Canonical SMILES:	C1=CC(=CC=C1C(=O)CCC(=O)O)Br
InChI:	InChI=1S/C10H9BrO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key:	ZODFRCZNTXLDDW-UHFFFAOYSA-N
Boiling Point:	428 °C at 760 mmHg
Density:	1.56 g/cm³
Solubility:	Water : Insoluble
MDL:	MFCD00016563
LogP:	2.49660

Publication Number	Title	Priority Date
CN-112876495-A	Parthenolide derivative, pharmaceutical composition thereof, preparation method and application thereof	20191129
WO-2019210828-A1	Bcl-2 INHIBITORS	20180429
AU-2019264475-A1	Bcl-2 inhibitors	20180429
BR-112020022092-A2	compounds, method for treating unregulated apoptotic diseases and pharmaceutical composition	20180429
CN-112437772-A	Bcl-2 inhibitors	20180429

PMID	Publication Date	Title	Journal
19564146	20090601	Synthesis of novel 1,3,4-oxadiazole derivatives and their biological properties	Acta pharmaceutica (Zagreb, Croatia)
19053823	20081225	Novel high-affinity and selective biaromatic 4-substituted gamma-hydroxybutyric acid (GHB) analogues as GHB ligands: design, synthesis, and binding studies	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.97351
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	255.97351
Rotatable Bond Count:	4
Topological Polar Surface Area:	54.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1