3',5'-Difluoro-2-hydroxyacetophenone - CAS 1260403-62-0

Name: 3',5'-Difluoro-2-hydroxyacetophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006300
Product Name:	3',5'-Difluoro-2-hydroxyacetophenone
CAS:	1260403-62-0
Synonyms:	1-(3,5-difluorophenyl)-2-hydroxyethanone; 1-(3,5-difluorophenyl)-2-hydroxyethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3,5-difluorophenyl)-2-hydroxyethanone
Description:	3',5'-Difluoro-2-hydroxyacetophenone (CAS# 1260403-62-0 ) is a useful research chemical.
Molecular Weight:	172.13
Molecular Formula:	C8H6F2O2
Canonical SMILES:	C1=C(C=C(C=C1F)F)C(=O)CO
InChI:	InChI=1S/C8H6F2O2/c9-6-1-5(8(12)4-11)2-7(10)3-6/h1-3,11H,4H2
InChI Key:	WHVDRRNOPIEXIV-UHFFFAOYSA-N
Storage:	Inert atmosphere, Room Temperature
LogP:	1.13980

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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Publication Number	Title	Priority Date
WO-2019201297-A1	Benzopyrazole compound used as rho kinase inhibitor	20180418
EP-3782987-A1	Benzopyrazole compound used as rho kinase inhibitor	20180418
WO-2011005731-A2	Process for making cgrp receptor antagonist	20090708
EP-2012778-A2	Antagonists of the vanilloid receptor subtype 1 (vr1) and uses thereof	20060418
US-2007249614-A1	Antagonists of the Vanilloid Receptor Subtype 1 (VR1) and Uses Thereof	20060418

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03358575
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.03358575
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2