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1-(2,6-Difluorophenyl)cyclopropanecarboxylic Acid

1-(2,6-Difluorophenyl)cyclopropanecarboxylic Acid - CAS 139229-58-6

Catalog:	BB008910
Product Name:	1-(2,6-Difluorophenyl)cyclopropanecarboxylic Acid
CAS:	139229-58-6
Synonyms:	1-(2,6-difluorophenyl)-1-cyclopropanecarboxylic acid; 1-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid

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Computed Properties

IUPAC Name:	1-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
Description:	1-(2,6-Difluorophenyl)cyclopropanecarboxylic Acid (CAS# 139229-58-6 ) is a useful research chemical.
Molecular Weight:	198.17
Molecular Formula:	C10H8F2O2
Canonical SMILES:	C1CC1(C2=C(C=CC=C2F)F)C(=O)O
InChI:	InChI=1S/C10H8F2O2/c11-6-2-1-3-7(12)8(6)10(4-5-10)9(13)14/h1-3H,4-5H2,(H,13,14)
InChI Key:	QRGUMJCPHNBRHI-UHFFFAOYSA-N
LogP:	2.08100

Publication Number	Title	Priority Date
US-2018251431-A1	1,3-substituted pyrazole compounds useful for reduction of very long chain fatty acid levels	20161209
WO-2018107056-A1	1,3-substitued pyrazole compounds useful for reduction of very long chain fatty acic levels	20161209
RU-2601749-C1	Method of producing 4'-fluorospiro[cyclopropane-1,3'-indol]-2'(1'h)-one	20150908
MX-2007013450-A	PROCEDURE FOR THE PREPARATION OF OXINDOLS AND THYO-OXINDOLS 3,3-DISPOSED.	20050429
DE-4024094-A1	ORTHO-SUBSTITUTED BENZYL ESTERS FROM CYCLOPROPANCARBONIC ACIDS	19900730

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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:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.04923582
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.04923582
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9