CAS 2632-13-5 | 2-Bromo-1-(4-methoxyphenyl)ethanone | CAS Number 2632-13-5

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2632-13-5 | 2-Bromo-1-(4-methoxyphenyl)ethanone

CAS No: 2632-13-5 Catalog No: AG00335F MDL No:MFCD00000201

Product Description

Catalog Number:

AG00335F

Chemical Name:

2-Bromo-1-(4-methoxyphenyl)ethanone

CAS Number:

2632-13-5

Molecular Formula:

C9H9BrO2

Molecular Weight:

229.0706

MDL Number:

MFCD00000201

IUPAC Name:

2-bromo-1-(4-methoxyphenyl)ethanone

InChI:

InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3

InChI Key:

XQJAHBHCLXUGEP-UHFFFAOYSA-N

SMILES:

BrCC(=O)c1ccc(cc1)OC

EC Number:

220-118-8

NSC Number:

129010

Properties

Complexity:

151

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.073g/mol

Monoisotopic Mass:

227.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
6-Fluoro-2-(4-meth-oxy-phen-yl)imidazo[2,1-b][1,3]benzothia-zole.	Acta crystallographica. Section E, Structure reports online 20111201
Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds.	Journal of medicinal chemistry 20110623
2-Isobutyl-6-(4-meth-oxy-phen-yl)imidazo[2,1-b][1,3,4]thia-diazole.	Acta crystallographica. Section E, Structure reports online 20110201
Effects of a fluorescent Myosin light chain phosphatase inhibitor on prostate cancer cells.	Frontiers in oncology 20110101
2-Bromo-1-(4-methoxy-phen-yl)ethanone.	Acta crystallographica. Section E, Structure reports online 20090901
Thienyl and phenyl alpha-halomethyl ketones: new inhibitors of glycogen synthase kinase (GSK-3beta) from a library of compound searching.	Journal of medicinal chemistry 20031023
alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship.	Bioorganic & medicinal chemistry letters 20021104