CAS 1450-75-5 | Ethanone, 1-(5-bromo-2-hydroxyphenyl)- | CAS Number 1450-75-5

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1450-75-5 | Ethanone, 1-(5-bromo-2-hydroxyphenyl)-

CAS No: 1450-75-5 Catalog No: AG001KGA MDL No:MFCD00191850

Product Description

Catalog Number:

AG001KGA

Chemical Name:

Ethanone, 1-(5-bromo-2-hydroxyphenyl)-

CAS Number:

1450-75-5

Molecular Formula:

C8H7BrO2

Molecular Weight:

215.0440

MDL Number:

MFCD00191850

IUPAC Name:

1-(5-bromo-2-hydroxyphenyl)ethanone

InChI:

InChI=1S/C8H7BrO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3

InChI Key:

HQCCNFFIOWYINW-UHFFFAOYSA-N

SMILES:

Brc1ccc(c(c1)C(=O)C)O

NSC Number:

46621

Properties

Complexity:

158

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:

2.7

Literature

Title	Journal
N'-[(E)-1-(5-Bromo-2-hy-droxy-phen-yl)ethyl-idene]-2-chloro-benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20111201
{N'-[1-(5-Bromo-2-oxidophenyl-κO)ethyl-idene]-3-hydroxy-2-naphtho-hydrazidato-κN',O}dibutyl-tin(IV).	Acta crystallographica. Section E, Structure reports online 20090801
N'-[(E)-(5-Bromo-2-hydroxy-phen-yl)(phen-yl)methyl-idene]-4-chloro-benzo-hydrazide.	Acta crystallographica. Section E, Structure reports online 20090801
N'-[(E)-1-(5-Bromo-2-hydroxy-phen-yl)ethyl-idene]benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20081201