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1-(5-Bromo-2-methoxyphenyl)cyclobutanecarboxylic Acid

1-(5-Bromo-2-methoxyphenyl)cyclobutanecarboxylic Acid - CAS 1260760-96-0

Catalog:	BB006371
Product Name:	1-(5-Bromo-2-methoxyphenyl)cyclobutanecarboxylic Acid
CAS:	1260760-96-0
Synonyms:	1-(5-bromo-2-methoxyphenyl)-1-cyclobutanecarboxylic acid; 1-(5-bromo-2-methoxyphenyl)cyclobutane-1-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(5-bromo-2-methoxyphenyl)cyclobutane-1-carboxylic acid
Description:	1-(5-Bromo-2-methoxyphenyl)cyclobutanecarboxylic Acid (CAS# 1260760-96-0 ) is a useful research chemical.
Molecular Weight:	285.13
Molecular Formula:	C12H13BrO3
Canonical SMILES:	COC1=C(C=C(C=C1)Br)C2(CCC2)C(=O)O
InChI:	InChI=1S/C12H13BrO3/c1-16-10-4-3-8(13)7-9(10)12(11(14)15)5-2-6-12/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChI Key:	FNGBOKXGWXRHKB-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CA-3074945-A1	Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use	20170914
US-2019077784-A1	Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use	20170914
WO-2019053634-A1	MODULATORS OF THE TRANSMEMBRANE CONDUCTANCE REGULATORY PROTEIN OF CYSTIC FIBROSIS AND METHODS OF USE	20170914
BR-112020005102-A2	modulators of the cystic fibrosis transmembrane conductance regulatory protein and methods of use	20170914
CN-111954664-A	Cystic fibrosis transmembrane conductance regulator and methods of use	20170914

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Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.00481
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	284.00481
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9