CAS 1450-74-4 | Ethanone, 1-(5-chloro-2-hydroxyphenyl)- | CAS Number 1450-74-4

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1450-74-4 | Ethanone, 1-(5-chloro-2-hydroxyphenyl)-

CAS No: 1450-74-4 Catalog No: AG001KGB MDL No:MFCD00067788

Product Description

Catalog Number:

AG001KGB

Chemical Name:

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

CAS Number:

1450-74-4

Molecular Formula:

C8H7ClO2

Molecular Weight:

170.5930

MDL Number:

MFCD00067788

IUPAC Name:

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

InChI:

InChI=1S/C8H7ClO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3

InChI Key:

XTGCUDZCCIRWHL-UHFFFAOYSA-N

SMILES:

Clc1ccc(c(c1)C(=O)C)O

EC Number:

215-916-8

NSC Number:

46622

Properties

Complexity:

158

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

170.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

170.592g/mol

Monoisotopic Mass:

170.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Bis{μ-4-chloro-N'-[(E)-1-(5-chloro-2-oxidophen-yl)ethyl-idene]benzohydrazidato}bis-[pyridine-copper(II)].	Acta crystallographica. Section E, Structure reports online 20111201
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
4-Chloro-2-((1R)-1-{[(R)-(2-chloro-phen-yl)(cyclo-pent-yl)meth-yl]amino}eth-yl)phenol.	Acta crystallographica. Section E, Structure reports online 20081101