Home Halogens Methyl 4-bromo-2,2-dimethyl-3-oxobutanoate

Methyl 4-bromo-2,2-dimethyl-3-oxobutanoate

CAS No.:
84691-57-6
Catalog Number:
AG004ZS8
Molecular Formula:
C7H11BrO3
Molecular Weight:
223.0644
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$355
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Product Description
Catalog Number:
AG004ZS8
Chemical Name:
Methyl 4-bromo-2,2-dimethyl-3-oxobutanoate
CAS Number:
84691-57-6
Molecular Formula:
C7H11BrO3
Molecular Weight:
223.0644
MDL Number:
MFCD16620955
IUPAC Name:
methyl 4-bromo-2,2-dimethyl-3-oxobutanoate
InChI:
InChI=1S/C7H11BrO3/c1-7(2,5(9)4-8)6(10)11-3/h4H2,1-3H3
InChI Key:
NPNKYOWEYMYAHO-UHFFFAOYSA-N
SMILES:
BrCC(=O)C(C(=O)OC)(C)C
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.989g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.066g/mol
Monoisotopic Mass:
221.989g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties