Home Halogens Ethyl 2,3-dibromo-3-phenylpropionate

Ethyl 2,3-dibromo-3-phenylpropionate

CAS No.:
5464-70-0
Catalog Number:
AG003Q24
Molecular Formula:
C11H12Br2O2
Molecular Weight:
336.0198
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$75
- +
100g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG003Q24
Chemical Name:
Ethyl 2,3-dibromo-3-phenylpropionate
CAS Number:
5464-70-0
Molecular Formula:
C11H12Br2O2
Molecular Weight:
336.0198
MDL Number:
MFCD10000889
IUPAC Name:
ethyl 2,3-dibromo-3-phenylpropanoate
InChI:
InChI=1S/C11H12Br2O2/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChI Key:
CCYOCUPSKJUNMD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(c1ccccc1)Br)Br
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.918g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.023g/mol
Monoisotopic Mass:
333.92g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Pine weevil (Hylobius abietis) antifeedants from lodgepole pine (Pinus contorta). Journal of chemical ecology 20011101
Properties