Home Halogens Ethyl 2-bromobutanoate

Ethyl 2-bromobutanoate

CAS No.:
533-68-6
Catalog Number:
AG003367
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$39
- +
25g
98%(GC)
In Stock USA
United States
$68
- +
100g
98%(GC)
In Stock USA
United States
$151
- +
Product Description
Catalog Number:
AG003367
Chemical Name:
Ethyl 2-bromobutanoate
CAS Number:
533-68-6
Molecular Formula:
C6H11BrO2
Molecular Weight:
195.0543
MDL Number:
MFCD00000155
IUPAC Name:
ethyl 2-bromobutanoate
InChI:
InChI=1S/C6H11BrO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3
InChI Key:
XIMFCGSNSKXPBO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC)Br
EC Number:
208-574-6
NSC Number:
8855
Properties
Complexity:
93.1  
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:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
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
Properties