2-(4-Bromophenyl)-2-oxoethyl Acetate - CAS 7500-37-0

Catalog:	BB035220
Product Name:	2-(4-Bromophenyl)-2-oxoethyl Acetate
CAS:	7500-37-0
Synonyms:	acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester; [2-(4-bromophenyl)-2-oxoethyl] acetate

Technical Data

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Computed Properties

IUPAC Name:	[2-(4-bromophenyl)-2-oxoethyl] acetate
Description:	2-(4-Bromophenyl)-2-oxoethyl Acetate (CAS# 7500-37-0 ) is a useful research chemical.
Molecular Weight:	257.08
Molecular Formula:	C10H9BrO3
Canonical SMILES:	CC(=O)OCC(=O)C1=CC=C(C=C1)Br
InChI:	InChI=1S/C10H9BrO3/c1-7(12)14-6-10(13)8-2-4-9(11)5-3-8/h2-5H,6H2,1H3
InChI Key:	DYDDLQHJYMWTMU-UHFFFAOYSA-N
Boiling Point:	338.7 °C at 760 mmHg
Density:	1.48 g/cm³
MDL:	MFCD00174274
LogP:	2.19490

Publication Number	Title	Priority Date
TW-202019907-A	Novel LXR regulator containing a bicyclic core	20180628
CN-104844486-A	Amino propanediol derivatives, preparation method, drug compositions and uses thereof	20140217
AU-2003222845-A1	Thiazolidinones and the use thereof as polo-like kinase inhibitors	20020503
TW-200406392-A	Thiazolidinones, their production and use as pharmaceutical agents	20020503
CA-1094744-A	Photosensitizers for radiation-curable coatins	19761123

PMID	Publication Date	Title	Journal
21500862	20110623	Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds	Journal of medicinal chemistry

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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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.97351
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2