CAS 2892-16-2 | 1-Propanone, 1-(5-chloro-2-hydroxyphenyl)- | CAS Number 2892-16-2

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2892-16-2 | 1-Propanone, 1-(5-chloro-2-hydroxyphenyl)-

CAS No: 2892-16-2 Catalog No: AG002X3D MDL No:MFCD00218579

Product Description

Catalog Number:

AG002X3D

Chemical Name:

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

CAS Number:

2892-16-2

Molecular Formula:

C9H9ClO2

Molecular Weight:

184.6196

MDL Number:

MFCD00218579

IUPAC Name:

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

InChI:

InChI=1S/C9H9ClO2/c1-2-8(11)7-5-6(10)3-4-9(7)12/h3-5,12H,2H2,1H3

InChI Key:

IVNYWGRYCXKHDW-UHFFFAOYSA-N

SMILES:

CCC(=O)c1cc(Cl)ccc1O

NSC Number:

157733

Properties

Complexity:

170

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.029g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

184.619g/mol

Monoisotopic Mass:

184.029g/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
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
N'-[(1E)-1-(5-Chloro-2-hydroxy-phen-yl)propyl-idene]-4-methoxy-benzohydrazide.	Acta crystallographica. Section E, Structure reports online 20100101
4-Chloro-2-((1R)-1-{[(R)-(2-chlorophen-yl)(cyclo-pent-yl)meth-yl]amino}prop-yl)phenol.	Acta crystallographica. Section E, Structure reports online 20090101