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alpha,alpha-Difluoro-2-(4-methoxyphenyl)acetic Acid

alpha,alpha-Difluoro-2-(4-methoxyphenyl)acetic Acid - CAS 1027513-97-8

Catalog:	BB000939
Product Name:	alpha,alpha-Difluoro-2-(4-methoxyphenyl)acetic Acid
CAS:	1027513-97-8
Synonyms:	2,2-difluoro-2-(4-methoxyphenyl)acetic acid; 2,2-difluoro-2-(4-methoxyphenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2,2-difluoro-2-(4-methoxyphenyl)acetic acid
Description:	alpha,alpha-Difluoro-2-(4-methoxyphenyl)acetic Acid (CAS# 1027513-97-8) is a useful research chemical.
Molecular Weight:	202.15
Molecular Formula:	C9H8F2O3
Canonical SMILES:	COC1=CC=C(C=C1)C(C(=O)O)(F)F
InChI:	InChI=1S/C9H8F2O3/c1-14-7-4-2-6(3-5-7)9(10,11)8(12)13/h2-5H,1H3,(H,12,13)
InChI Key:	AVTZQAFEAUPCKL-UHFFFAOYSA-N
LogP:	1.87160

Publication Number	Title	Priority Date
CN-111004122-A	Synthesis method of gem-difluoroallyl compound in aqueous phase	20191223
US-2020247785-A1	IL-17 Ligands And Uses Thereof	20190206
WO-2020163554-A1	Il-17a modulators and uses thereof	20190206
TW-202045481-A	Il-17a modulators and uses thereof	20190206
US-2018037526-A1	Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation	20150209

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[108397-75-7]
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.04415044
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.04415044
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1