Ethyl 4-(4-Bromophenyl)-4-oxobutyrate - CAS 30913-87-2

Name: Ethyl 4-(4-Bromophenyl)-4-oxobutyrate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020751
Product Name:	Ethyl 4-(4-Bromophenyl)-4-oxobutyrate
CAS:	30913-87-2
Synonyms:	4-(4-bromophenyl)-4-oxobutanoic acid ethyl ester; ethyl 4-(4-bromophenyl)-4-oxobutanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 4-(4-bromophenyl)-4-oxobutanoate
Description:	Ethyl 4-(4-Bromophenyl)-4-oxobutyrate (CAS# 30913-87-2 ) is a useful research chemical.
Molecular Weight:	285.13
Molecular Formula:	C12H13BrO3
Canonical SMILES:	CCOC(=O)CCC(=O)C1=CC=C(C=C1)Br
InChI:	InChI=1S/C12H13BrO3/c1-2-16-12(15)8-7-11(14)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChI Key:	VKPICHZTXSNYMN-UHFFFAOYSA-N
Boiling Point:	376.5 °C at 760 mmHg
Density:	1.379 g/cm³
MDL:	MFCD00672068
LogP:	2.97510

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Publication Number	Title	Priority Date
CN-110872206-A	Reduction coupling method for synthesizing 1, 1-difluoroethyl aromatic compound	20191201
JP-2014231508-A	Halogen-substituted heterocyclic compounds	20130502
US-4808403-A	Use of N,N-diethyl-m-toluamide and/or the ethyl ester of 2-methyl-3-pentenoic acid as insect attractants	19870317
US-4816248-A	Use of N,N-diethyl-m-toluamide and/or the ethyl ester of 2-methyl-3-pentenoic acid as mosquito attractants	19870317
US-4876087-A	Use of N,N-diethyl-m-toluamide and/or the ethyl ester of 2-methyl-3-pentenoic acid as mosquito attractants	19870317

Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.00481
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	284.00481
Rotatable Bond Count:	6
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4