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Home Halogens Methyl 2-bromo-2-methylpropanoate

Methyl 2-bromo-2-methylpropanoate

CAS No.:
23426-63-3
Catalog Number:
AG00355X
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(GC)
In Stock USA
United States
$39
- +
25g
99%(GC)
In Stock USA
United States
$55
- +
100g
99%(GC)
In Stock USA
United States
$129
- +
500g
99%(GC)
In Stock USA
United States
$514
- +
Product Description
Catalog Number:
AG00355X
Chemical Name:
Methyl 2-bromo-2-methylpropanoate
CAS Number:
23426-63-3
Molecular Formula:
C5H9BrO2
Molecular Weight:
181.0278
MDL Number:
MFCD00017854
IUPAC Name:
methyl 2-bromo-2-methylpropanoate
InChI:
InChI=1S/C5H9BrO2/c1-5(2,6)4(7)8-3/h1-3H3
InChI Key:
PQUSVJVVRXWKDG-UHFFFAOYSA-N
SMILES:
COC(=O)C(Br)(C)C
EC Number:
245-657-6
NSC Number:
406890
Properties
Complexity:
98.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.979g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.029g/mol
Monoisotopic Mass:
179.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
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
Properties