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1-(4-Bromophenyl)cyclobutanecarboxylic Acid

1-(4-Bromophenyl)cyclobutanecarboxylic Acid - CAS 151157-49-2

Catalog:	BB010626
Product Name:	1-(4-Bromophenyl)cyclobutanecarboxylic Acid
CAS:	151157-49-2
Synonyms:	1-(4-bromophenyl)-1-cyclobutanecarboxylic acid; 1-(4-bromophenyl)cyclobutane-1-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(4-bromophenyl)cyclobutane-1-carboxylic acid
Description:	1-(4-Bromophenyl)cyclobutanecarboxylic Acid (CAS# 151157-49-2) is a useful research chemical.
Molecular Weight:	255.11
Molecular Formula:	C11H11BrO2
Canonical SMILES:	C1CC(C1)(C2=CC=C(C=C2)Br)C(=O)O
InChI:	InChI=1S/C11H11BrO2/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:	CZCIJQWZBHQMNS-UHFFFAOYSA-N
Boiling Point:	367.331 °C at 760 mmHg
Density:	1.574 g/cm³
MDL:	MFCD08443165
LogP:	2.95540

Publication Number	Title	Priority Date
AU-2018368332-A1	Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors	20171114
CA-3082108-A1	Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20171114
TW-201922710-A	Novel substituted diaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors	20171114
US-10647705-B2	Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors	20171114
US-2019144433-A1	Novel substituted biaryl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20171114

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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:	227
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