N-(4-Bromo-2,5-dimethylphenyl)acetamide - CAS 13711-31-4

Catalog:	BB008515
Product Name:	N-(4-Bromo-2,5-dimethylphenyl)acetamide
CAS:	13711-31-4
Synonyms:	N-(4-bromo-2,5-dimethylphenyl)acetamide; N-(4-bromo-2,5-dimethylphenyl)acetamide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	N-(4-bromo-2,5-dimethylphenyl)acetamide
Description:	N-(4-Bromo-2,5-dimethylphenyl)acetamide (CAS# 13711-31-4) is a useful research chemical compound.
Molecular Weight:	242.11
Molecular Formula:	C10H12BrNO
Canonical SMILES:	CC1=CC(=C(C=C1Br)C)NC(=O)C
InChI:	InChI=1S/C10H12BrNO/c1-6-5-10(12-8(3)13)7(2)4-9(6)11/h4-5H,1-3H3,(H,12,13)
InChI Key:	TZQCMOHJNDKIEZ-UHFFFAOYSA-N
Boiling Point:	339.8 °C at 760 mmHg
Density:	1.413 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD00091906
LogP:	3.09730

Publication Number	Title	Priority Date
EP-3441388-A1	4,5,6-tri-substituted indazoles derivatives, preparation thereof, and use thereof in medicines	20161111
WO-2014119617-A1	Amidine compound and salt thereof	20130130
AU-2013341945-A1	GPR40 receptor agonist, methods of preparing the same, and pharmaceutical compositions containing the same as an active ingredient	20121109
AU-2013341945-B2	GPR40 receptor agonist, methods of preparing the same, and pharmaceutical compositions containing the same as an active ingredient	20121109
EP-2917180-A1	Gpr40 receptor agonist, methods of preparing the same, and pharmaceutical compositions containing the same as an active ingredient	20121109

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic 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:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.01023
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.01023
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6