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1-(2-Bromophenyl)cyclobutanecarboxylic Acid

1-(2-Bromophenyl)cyclobutanecarboxylic Acid - CAS 151157-44-7

Catalog:	BB010621
Product Name:	1-(2-Bromophenyl)cyclobutanecarboxylic Acid
CAS:	151157-44-7
Synonyms:	1-(2-bromophenyl)-1-cyclobutanecarboxylic acid; 1-(2-bromophenyl)cyclobutane-1-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-(2-bromophenyl)cyclobutane-1-carboxylic acid
Description:	1-(2-Bromophenyl)cyclobutanecarboxylic Acid (CAS# 151157-44-7) is a useful research chemical.
Molecular Weight:	255.11
Molecular Formula:	C11H11BrO2
Canonical SMILES:	C1CC(C1)(C2=CC=CC=C2Br)C(=O)O
InChI:	InChI=1S/C11H11BrO2/c12-9-5-2-1-4-8(9)11(10(13)14)6-3-7-11/h1-2,4-5H,3,6-7H2,(H,13,14)
InChI Key:	YQKIWDAWRORBMI-UHFFFAOYSA-N
LogP:	2.95540

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
CZ-26699-A3	Arylcycloalkane carboxylate, use thereof, pharmaceutical preparation and its preparation	19970723

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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:	235
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.99424
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.99424
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3