4-(4-Fluorophenyl)butyric Acid - CAS 589-06-0

Catalog:	BB030197
Product Name:	4-(4-Fluorophenyl)butyric Acid
CAS:	589-06-0
Synonyms:	4-(4-fluorophenyl)butanoic acid; 4-(4-fluorophenyl)butanoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-(4-fluorophenyl)butanoic acid
Description:	4-(4-Fluorophenyl)butyric Acid (CAS# 589-06-0) is a useful research chemical.
Molecular Weight:	182.19
Molecular Formula:	C10H11FO2
Canonical SMILES:	C1=CC(=CC=C1CCCC(=O)O)F
InChI:	InChI=1S/C10H11FO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)
InChI Key:	XVQYBBYOYJXQBF-UHFFFAOYSA-N
Boiling Point:	296.5 °C at 760 mmHg
Density:	1.182 g/cm³
MDL:	MFCD03788503
LogP:	2.23300

Publication Number	Title	Priority Date
WO-2020210919-A1	Novel radiolabelled cxcr4-targeting compounds for diagnosis and therapy	20190418
KR-20190082673-A	Novel metal complex, process for producing the same, and method for producing Î³-lactam compound using the same	20180102
WO-2019135600-A1	Novel metal complex, method for producing same, and method for producing gamma-lactam compound using same	20180102
KR-102155023-B1	Novel metal complex, process for producing the same, and method for producing Î³-lactam compound using the same	20180102
US-2020330969-A1	Novel metal complex, method for producing same, and method for producing gamma-lactam compound using same	20180102

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.07430775
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.07430775
Rotatable Bond Count:	4
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5