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1-(4-Chlorophenyl)-1-cyclobutanecarboxylic Acid

1-(4-Chlorophenyl)-1-cyclobutanecarboxylic Acid - CAS 50921-39-6

Catalog:	BB027275
Product Name:	1-(4-Chlorophenyl)-1-cyclobutanecarboxylic Acid
CAS:	50921-39-6
Synonyms:	1-(4-chlorophenyl)-1-cyclobutanecarboxylic acid; 1-(4-chlorophenyl)cyclobutane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(4-chlorophenyl)cyclobutane-1-carboxylic acid
Description:	1-(4-Chlorophenyl)-1-cyclobutanecarboxylic Acid (CAS# 50921-39-6) is a useful research chemical.
Molecular Weight:	210.66
Molecular Formula:	C11H11ClO2
Canonical SMILES:	C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)O
InChI:	InChI=1S/C11H11ClO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
InChI Key:	XYSRHOKREWGGFE-UHFFFAOYSA-N
Boiling Point:	350.4 °C at 760 mmHg
Density:	1.335 g/cm³
MDL:	MFCD00001324
LogP:	2.84630

Publication Number	Title	Priority Date
CA-3050056-A1	Rorgamma modulators and uses thereof	20170127
EP-3573972-A1	Rorgamma modulators and uses thereof	20170127
JP-2020505410-A	ROR gamma modulator and use thereof	20170127
US-2020000815-A1	Rorgamma modulators and uses thereof	20170127
WO-2018138359-A1	Rorgamma modulators and uses thereof	20170127

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0447573
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.0447573
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9