CAS 2491-38-5 | Ethanone, 2-bromo-1-(4-hydroxyphenyl)- | CAS Number 2491-38-5

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2491-38-5 | Ethanone, 2-bromo-1-(4-hydroxyphenyl)-

CAS No: 2491-38-5 Catalog No: AG002PUF MDL No:MFCD00072424

Product Description

Catalog Number:

AG002PUF

Chemical Name:

Ethanone, 2-bromo-1-(4-hydroxyphenyl)-

CAS Number:

2491-38-5

Molecular Formula:

C8H7BrO2

Molecular Weight:

215.0440

MDL Number:

MFCD00072424

IUPAC Name:

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

InChI:

InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2

InChI Key:

LJYOFQHKEWTQRH-UHFFFAOYSA-N

SMILES:

BrCC(=O)c1ccc(cc1)O

EC Number:

219-655-0

UNII:

6H0QU4I6BA

Properties

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

213.963g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.046g/mol

Monoisotopic Mass:

213.963g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Preparation and photophysical properties of a caged kynurenine.	Bioorganic & medicinal chemistry letters 20120415
2-Bromo-1-(4-hydroxy-phen-yl)ethanone.	Acta crystallographica. Section E, Structure reports online 20091101
Allergic contact dermatitis from a paper mill slimicide containing 2-bromo-4'-hydroxyacetophenone.	American journal of contact dermatitis : official journal of the American Contact Dermatitis Society 20030301
alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship.	Bioorganic & medicinal chemistry letters 20021104
Catalytic subunit of protein kinase A caged at the activating phosphothreonine.	Journal of the American Chemical Society 20020717