3-Bromo-4-oxo-4-phenylbutanoic Acid - CAS 53515-22-3

Catalog:	BB028254
Product Name:	3-Bromo-4-oxo-4-phenylbutanoic Acid
CAS:	53515-22-3
Synonyms:	3-bromo-4-oxo-4-phenylbutanoic acid; 3-bromo-4-oxo-4-phenylbutanoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-4-oxo-4-phenylbutanoic acid
Description:	3-Bromo-4-oxo-4-phenylbutanoic Acid (CAS# 53515-22-3) is a useful research chemical.
Molecular Weight:	257.08
Molecular Formula:	C10H9BrO3
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C(CC(=O)O)Br
InChI:	InChI=1S/C10H9BrO3/c11-8(6-9(12)13)10(14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)
InChI Key:	VPUHMOLSUUYGEJ-UHFFFAOYSA-N
Boiling Point:	371.2 °C at 760 mmHg
Density:	1.585 g/cm³
LogP:	2.10750

Publication Number	Title	Priority Date
EP-2586780-B1	2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and use thereof	20100625
US-2013203754-A1	2-Aryl Imidazo[1,2-a]Pyridine-3-Acetamide Derivatives, Preparation Methods and Uses Thereof	20100625
US-8980887-B2	2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and uses thereof	20100625
WO-2011160548-A1	2-aryl imidazo[1,2-a]pyridine-3-acetamide derivatives, preparation methods and use thereof	20100625
WO-2006085815-A1	Thiazole derivatives, their process for their preparation and their use in therapy	20050211

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Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.97351
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	255.97351
Rotatable Bond Count:	4
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9