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1-(3-Fluorophenyl)cyclobutanecarboxylic Acid

1-(3-Fluorophenyl)cyclobutanecarboxylic Acid - CAS 179411-84-8

Catalog:	BB013572
Product Name:	1-(3-Fluorophenyl)cyclobutanecarboxylic Acid
CAS:	179411-84-8
Synonyms:	1-(3-fluorophenyl)-1-cyclobutanecarboxylic acid; 1-(3-fluorophenyl)cyclobutane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-(3-fluorophenyl)cyclobutane-1-carboxylic acid
Description:	1-(3-Fluorophenyl)cyclobutanecarboxylic Acid (CAS# 179411-84-8) is a useful research chemical.
Molecular Weight:	194.20
Molecular Formula:	C11H11FO2
Canonical SMILES:	C1CC(C1)(C2=CC(=CC=C2)F)C(=O)O
InChI:	InChI=1S/C11H11FO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14)
InChI Key:	AHZJCDUFTPVPFM-UHFFFAOYSA-N
LogP:	2.33200

Publication Number	Title	Priority Date
EP-2200440-B1	Antibacterial amide and sulfonamide substituted heterocyclic urea compounds	20070723
US-2010298387-A1	IL-8 Receptor Antagonists	20061205
US-8044075-B2	IL-8 receptor antagonists	20061205
CZ-26699-A3	Arylcycloalkane carboxylate, use thereof, pharmaceutical preparation and its preparation	19970723
HU-9902851-A2	Arylcycloalkane carboxylic esters, their use, pharmaceutical compositions and preparation	19970723

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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:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.07430775
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.07430775
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4