Methyl 2,4-Difluorophenylacetate - CAS 95299-17-5

Catalog:	BB041674
Product Name:	Methyl 2,4-Difluorophenylacetate
CAS:	95299-17-5
Synonyms:	2-(2,4-difluorophenyl)acetic acid methyl ester; methyl 2-(2,4-difluorophenyl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(2,4-difluorophenyl)acetate
Description:	Methyl 2,4-Difluorophenylacetate (CAS# 95299-17-5 ) is a useful research chemical.
Molecular Weight:	186.16
Molecular Formula:	C9H8F2O2
Canonical SMILES:	COC(=O)CC1=C(C=C(C=C1)F)F
InChI:	InChI=1S/C9H8F2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3
InChI Key:	PSJRCJPFUFWIJU-UHFFFAOYSA-N
MDL:	MFCD12031752
LogP:	1.68030

Publication Number	Title	Priority Date
CN-112480101-A	IRAK4 kinase inhibitor and preparation and application thereof	20190912
WO-2021047677-A1	Irak4 kinase inhibitor and preparation thereof and use thereof	20190912
CN-110885328-A	Sulfonamide compounds as sodium channel blockers and uses thereof	20180910
EP-3642204-A1	PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS	20170621
US-2020123166-A1	PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS	20170621

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Related Functional Groups

Carbonyl Compounds

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[17746-05-3]
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[4313-03-5]
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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.04923582
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.04923582
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9