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1-(3,4-Dichlorophenyl)cyclobutanecarboxylic Acid

1-(3,4-Dichlorophenyl)cyclobutanecarboxylic Acid - CAS 84485-58-5

Catalog:	BB037216
Product Name:	1-(3,4-Dichlorophenyl)cyclobutanecarboxylic Acid
CAS:	84485-58-5
Synonyms:	1-(3,4-dichlorophenyl)-1-cyclobutanecarboxylic acid; 1-(3,4-dichlorophenyl)cyclobutane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-(3,4-dichlorophenyl)cyclobutane-1-carboxylic acid
Description:	1-(3,4-Dichlorophenyl)cyclobutanecarboxylic Acid (CAS# 84485-58-5) is a useful research chemical.
Molecular Weight:	245.10
Molecular Formula:	C11H10Cl2O2
Canonical SMILES:	C1CC(C1)(C2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI:	InChI=1S/C11H10Cl2O2/c12-8-3-2-7(6-9(8)13)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15)
InChI Key:	LKLDQXZDZVETAB-UHFFFAOYSA-N
LogP:	3.49970

Publication Number	Title	Priority Date
JP-2019514840-A	Modulator of cystic fibrosis transmembrane conductance regulator protein	20160426
US-10118916-B2	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
US-2017305891-A1	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
WO-2017187321-A1	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
US-2015057443-A1	Cycloalkyl Amine Compounds	20130821

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Carbonyl Compounds

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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:	263
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.0057849
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.0057849
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5