4'-Chloro-2-hydroxyacetophenone - CAS 27993-56-2

Catalog:	BB019729
Product Name:	4'-Chloro-2-hydroxyacetophenone
CAS:	27993-56-2
Synonyms:	1-(4-chlorophenyl)-2-hydroxyethanone; 1-(4-chlorophenyl)-2-hydroxyethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(4-chlorophenyl)-2-hydroxyethanone
Description:	4'-Chloro-2-hydroxyacetophenone (CAS# 27993-56-2) is a useful research chemical.
Molecular Weight:	170.59
Molecular Formula:	C8H7ClO2
Canonical SMILES:	C1=CC(=CC=C1C(=O)CO)Cl
InChI:	InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2
InChI Key:	DMDCUPKBRHFLKH-UHFFFAOYSA-N
Boiling Point:	299.9 °C at 760 mmHg
Density:	1.307 g/cm³
MDL:	MFCD01570063
LogP:	1.51500

Publication Number	Title	Priority Date
WO-2021081207-A1	Glp-1r modulating compounds	20191025
WO-2020037155-A1	1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indole derivative compounds and uses thereof	20180816
EP-3836919-A1	1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indole derivative compounds and uses thereof	20180816
WO-2019087016-A1	Compounds useful in hiv therapy	20171030
US-2020325147-A1	Compounds Useful in HIV Therapy	20171030

PMID	Publication Date	Title	Journal
21126022	20110113	Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0134572
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.0134572
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7