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Home Other Building Blocks Methyl 2-Bromopropionate

Methyl 2-Bromopropionate

CAS No.:
5445-17-0
Catalog Number:
AG00355Z
Molecular Formula:
C4H7BrO2
Molecular Weight:
167.0012
Pack Size
Purity
Availability
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Price(USD)
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25g
97%
1 week
United States
$9
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Product Description
Catalog Number:
AG00355Z
Chemical Name:
Methyl 2-Bromopropionate
CAS Number:
5445-17-0
Molecular Formula:
C4H7BrO2
Molecular Weight:
167.0012
MDL Number:
MFCD00000143
IUPAC Name:
methyl 2-bromopropanoate
InChI:
InChI=1S/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H3
InChI Key:
ACEONLNNWKIPTM-UHFFFAOYSA-N
SMILES:
COC(=O)C(Br)C
EC Number:
226-642-3
NSC Number:
21973
Properties
Complexity:
72.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.963g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.002g/mol
Monoisotopic Mass:
165.963g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Stereoselectivity and conformational stability of haloalkane dehalogenase DbjA from Bradyrhizobium japonicum USDA110: the effect of pH and temperature. The FEBS journal 20110801
Mechanism of carbon-halogen bond reductive cleavage in activated alkyl halide initiators relevant to living radical polymerization: theoretical and experimental study. Journal of the American Chemical Society 20110427
Polymer brushes on single-walled carbon nanotubes by atom transfer radical polymerization of n-butyl methacrylate. Journal of the American Chemical Society 20040114
General method for determination of the activation, deactivation, and initiation rate constants in transition metal-catalyzed atom transfer radical processes. Journal of the American Chemical Society 20020717
Synthesis of coenzyme A esters of 3alpha,7alpha,12alpha-trihydroxy- and 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oic acids for the study of beta-oxidation in bile acid biosynthesis. Steroids 20010601
Properties