3,4-Difluorophenylglyoxal - CAS 79784-34-2

Catalog:	BB036410
Product Name:	3,4-Difluorophenylglyoxal
CAS:	79784-34-2
Synonyms:	2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate; 2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate
Description:	3,4-Difluorophenylglyoxal (CAS# 79784-34-2) is a useful research chemical.
Molecular Weight:	170.11
Molecular Formula:	C8H4F2O2
Canonical SMILES:	C1=CC(=C(C=C1C(=O)C=O)F)F.O
InChI:	InChI=1S/C8H4F2O2.H2O/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-4H;1H2
InChI Key:	FFYIMFMDGMXVOF-UHFFFAOYSA-N
Boiling Point:	229.4 °C at 760 mmHg
Density:	1.342 g/cm³
Appearance:	Powder
MDL:	MFCD03453081
LogP:	1.28210

Publication Number	Title	Priority Date
CN-110357891-A	The 2- hydroxypyrrole derivatives and its synthetic method and application that chromone base replaces	20190705
AU-2008331480-A1	Prolyl hydroxylase inhibitors	20071130
AU-2012258439-A1	Prolyl hydroxylase inhibitors	20071130
CN-101983384-A	Prolyl hydroxylase inhibitors	20071130
EP-2227770-A2	Prolyl hydroxylase inhibitors	20071130

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Related Functional Groups

Carbonyl Compounds

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[51493-02-8]
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[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.02850037
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.02850037
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0