Home Halogens 1-tert-Butyl 3-ethyl 2-(5-bromopyrimidin-2-yl)malonate

1-tert-Butyl 3-ethyl 2-(5-bromopyrimidin-2-yl)malonate

CAS No.:
1956366-57-6
Catalog Number:
AG01DFLQ
Molecular Formula:
C13H17BrN2O4
Molecular Weight:
345.1891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$147
- +
250mg
95%
In Stock USA
United States
$252
- +
1g
95%
In Stock USA
United States
$504
- +
5g
95%
In Stock USA
United States
$1512
- +
Product Description
Catalog Number:
AG01DFLQ
Chemical Name:
1-tert-Butyl 3-ethyl 2-(5-bromopyrimidin-2-yl)malonate
CAS Number:
1956366-57-6
Molecular Formula:
C13H17BrN2O4
Molecular Weight:
345.1891
MDL Number:
MFCD29917113
IUPAC Name:
3-O-tert-butyl 1-O-ethyl 2-(5-bromopyrimidin-2-yl)propanedioate
InChI:
InChI=1S/C13H17BrN2O4/c1-5-19-11(17)9(12(18)20-13(2,3)4)10-15-6-8(14)7-16-10/h6-7,9H,5H2,1-4H3
InChI Key:
KHZLBXOZQBWCGO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OC(C)(C)C)c1ncc(cn1)Br
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.037g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.193g/mol
Monoisotopic Mass:
344.037g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties