Home Halogens Diethyl 2-(4-bromobenzyl)malonate

Diethyl 2-(4-bromobenzyl)malonate

CAS No.:
70146-78-0
Catalog Number:
AG006C39
Molecular Formula:
C14H17BrO4
Molecular Weight:
329.1864
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$232
- +
1g
95%
1 week
United States
$524
- +
Product Description
Catalog Number:
AG006C39
Chemical Name:
Diethyl 2-(4-bromobenzyl)malonate
CAS Number:
70146-78-0
Molecular Formula:
C14H17BrO4
Molecular Weight:
329.1864
MDL Number:
MFCD00017852
IUPAC Name:
diethyl 2-[(4-bromophenyl)methyl]propanedioate
InChI:
InChI=1S/C14H17BrO4/c1-3-18-13(16)12(14(17)19-4-2)9-10-5-7-11(15)8-6-10/h5-8,12H,3-4,9H2,1-2H3
InChI Key:
XUINVWBCZQIJHR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)Cc1ccc(cc1)Br
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.031g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.19g/mol
Monoisotopic Mass:
328.031g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties