CAS 17764-93-1 | 1-Propanone, 1-(5-bromo-2-hydroxyphenyl)- | CAS Number 17764-93-1

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17764-93-1 | 1-Propanone, 1-(5-bromo-2-hydroxyphenyl)-

CAS No: 17764-93-1 Catalog No: AG0025FJ MDL No:MFCD00218577

Product Description

Catalog Number:

AG0025FJ

Chemical Name:

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

CAS Number:

17764-93-1

Molecular Formula:

C9H9BrO2

Molecular Weight:

229.0706

MDL Number:

MFCD00218577

IUPAC Name:

1-(5-bromo-2-hydroxyphenyl)propan-1-one

InChI:

InChI=1S/C9H9BrO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3

InChI Key:

NDXLYRKTHTZXRC-UHFFFAOYSA-N

SMILES:

CCC(=O)c1cc(Br)ccc1O

Properties

Complexity:

170

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:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
{N'-[(E)-1-(5-Bromo-2-oxidophen-yl)ethyl-idene-κO]-4-methyl-benzohydrazidato-κN',O}(pyridine-κN)nickel(II).	Acta crystallographica. Section E, Structure reports online 20110801
N'-[(E)-1-(5-Bromo-2-hy-droxy-phen-yl)ethyl-idene]-4-nitro-benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20110701
{N'-[(E)-1-(5-Bromo-2-oxidophen-yl)ethyl-idene]-4-hy-droxy-benzohydrazidato}pyridine-copper(II).	Acta crystallographica. Section E, Structure reports online 20110501