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Ethyl 2-Bromo-2-(3,4-dichlorophenyl)acetate

Ethyl 2-Bromo-2-(3,4-dichlorophenyl)acetate - CAS 41204-08-4

Catalog:	BB024817
Product Name:	Ethyl 2-Bromo-2-(3,4-dichlorophenyl)acetate
CAS:	41204-08-4
Synonyms:	2-bromo-2-(3,4-dichlorophenyl)acetic acid ethyl ester; ethyl 2-bromo-2-(3,4-dichlorophenyl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-bromo-2-(3,4-dichlorophenyl)acetate
Description:	Ethyl 2-Bromo-2-(3,4-dichlorophenyl)acetate (CAS# 41204-08-4 ) is a useful research chemical.
Molecular Weight:	311.99
Molecular Formula:	C10H9BrCl2O2
Canonical SMILES:	CCOC(=O)C(C1=CC(=C(C=C1)Cl)Cl)Br
InChI:	InChI=1S/C10H9BrCl2O2/c1-2-15-10(14)9(11)6-3-4-7(12)8(13)5-6/h3-5,9H,2H2,1H3
InChI Key:	YFJFMJXQSOSNLE-UHFFFAOYSA-N
Boiling Point:	331.6 °C at 760 mmHg
Density:	1.587 g/cm³
LogP:	3.99250

Publication Number	Title	Priority Date
US-2016346249-A1	Use of amitifadine, (+)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane in methods and compositions with enhanced efficacy and reduced metabolic side effects and toxicity for treatment of depression and other central nervous system disorders and conditions affected by monoamine neurotransmitters	20120813
EP-2646019-A1	Preparation and use of (+)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane in the treatment of conditions affected by monoamine neurotransmitters	20101203
JP-2013544850-A	Preparation and use of (+)-1- (3,4-dichlorophenyl) -3-azabicyclo [3.1.0] hexane in the treatment of conditions affected by monoamine neurotransmitters	20101203
JP-2017114861-A	Preparation and use of (+)-1- (3,4-dichlorophenyl) -3-azabicyclo [3.1.0] hexane in the treatment of conditions affected by monoamine neurotransmitters	20101203
JP-2019031502-A	Preparation and use of (+)-1- (3,4-dichlorophenyl) -3-azabicyclo [3.1.0] hexane in the treatment of conditions affected by monoamine neurotransmitters	20101203

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Related Functional Groups

Carbonyl Compounds

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[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	309.9163
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	309.9163
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2