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Home Halogens Ethyl 4-bromobutyrate

Ethyl 4-bromobutyrate

CAS No.:
2969-81-5
Catalog Number:
AG002Z4S
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
95%
In Stock USA
United States
$12
- +
100g
95%
In Stock USA
United States
$25
- +
Product Description
Catalog Number:
AG002Z4S
Chemical Name:
Ethyl 4-bromobutyrate
CAS Number:
2969-81-5
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
MDL Number:
MFCD00000259
IUPAC Name:
ethyl 4-bromobutanoate
InChI:
InChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
InChI Key:
XBPOBCXHALHJFP-UHFFFAOYSA-N
SMILES:
BrCCCC(=O)OCC
EC Number:
221-005-6
NSC Number:
133462
Properties
Complexity:
83.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.994g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.056g/mol
Monoisotopic Mass:
193.994g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides. Journal of the American Chemical Society 20120411
4,4'-[p-Phenyl-enebis(-oxy)]dibutanoic acid. Acta crystallographica. Section E, Structure reports online 20111001
4,4'-[4,4'-Sulfonyl-bis-(p-phenyl-ene-oxy)]dibutanoic acid. Acta crystallographica. Section E, Structure reports online 20110501
Enzyme-linked immunosorbent assay development for the beta-adrenergic agonist zilpaterol. Journal of agricultural and food chemistry 20040421
Properties