Home Other Building Blocks (5-Bromopentyl)malonic acid diethyl ester

(5-Bromopentyl)malonic acid diethyl ester

CAS No.:
1906-95-2
Catalog Number:
AG002EOP
Molecular Formula:
C12H21BrO4
Molecular Weight:
309.1967
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$188
- +
25g
95%
In Stock USA
United States
$625
- +
Product Description
Catalog Number:
AG002EOP
Chemical Name:
(5-Bromopentyl)malonic acid diethyl ester
CAS Number:
1906-95-2
Molecular Formula:
C12H21BrO4
Molecular Weight:
309.1967
MDL Number:
MFCD00048565
IUPAC Name:
diethyl 2-(5-bromopentyl)propanedioate
InChI:
InChI=1S/C12H21BrO4/c1-3-16-11(14)10(12(15)17-4-2)8-6-5-7-9-13/h10H,3-9H2,1-2H3
InChI Key:
JZCAZGWJCVMTTQ-UHFFFAOYSA-N
SMILES:
BrCCCCCC(C(=O)OCC)C(=O)OCC
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.062g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.2g/mol
Monoisotopic Mass:
308.062g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties