1-(3-Bromophenyl)-2-hydroxyethan-1-one - CAS 4079-51-0

Catalog:	BB024668
Product Name:	1-(3-Bromophenyl)-2-hydroxyethan-1-one
CAS:	4079-51-0
Synonyms:	1-(3-bromophenyl)-2-hydroxyethanone; 1-(3-bromophenyl)-2-hydroxyethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(3-bromophenyl)-2-hydroxyethanone
Description:	1-(3-Bromophenyl)-2-hydroxyethan-1-one (CAS# 4079-51-0) is a useful research chemical.
Molecular Weight:	215.04
Molecular Formula:	C8H7BrO2
Canonical SMILES:	C1=CC(=CC(=C1)Br)C(=O)CO
InChI:	InChI=1S/C8H7BrO2/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,10H,5H2
InChI Key:	RSWPGWSYMLTIOH-UHFFFAOYSA-N
LogP:	1.62410

Publication Number	Title	Priority Date
CN-109320488-B	Water phase one-pot synthesis method of 3-hydroxyflavone and derivatives thereof	20181130
CN-107324975-B	Direct hydroxylation or amination method of photocatalytic benzene and derivatives thereof	20160428
US-10155753-B2	4-substituted-2-(5-substituted-1H-indol-2-yl)phenol derivatives, methods for preparing the phenol derivatives and pharmaceutical compositions for inhibiting cell proliferation and migration including the phenol derivatives	20151109
US-2017129879-A1	4-substituted-2-(5-substituted-1h-indol-2-yl)phenol derivatives, methods for preparing the phenol derivatives and pharmaceutical compositions for inhibiting cell proliferation and migration including the phenol derivatives	20151109
EP-3341380-A1	Brain-penetrant chromone oxime derivative for the therapy of levodopa-induced dyskinesia	20150827

PMID	Publication Date	Title	Journal
21580701	20100320	(E)-2-[1-(3-Amino-4-chloro-phenyl-imino)eth-yl]-4-bromo-phenol	Acta crystallographica. Section E, Structure reports online
21580457	20100227	N'-[1-(5-Bromo-2-hydroxy-phen-yl)ethyl-idene]-3,4,5-trihydroxy-benzohydrazide dimethyl sulfoxide solvate trihydrate	Acta crystallographica. Section E, Structure reports online
21201360	20080125	Bis{μ-N'-[1-(5-bromo-2-oxidophen-yl)ethyl-idene]benzene-sulfono-hydrazidato}-κO,N':N;κN:O,N'-bis-[(dimethyl sulfoxide-κO)copper(II)]	Acta crystallographica. Section E, Structure reports online
21200486	20071206	(μ-4-Bromo-2-{1-[2-(dimethyl-amino)ethyl-imino]eth-yl}phenolato)bis-[ethyl-zinc(II)]	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
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Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.96294
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.96294
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6