Home Halogens Ethyl 5-bromopyrimidine-4-carboxylate

Ethyl 5-bromopyrimidine-4-carboxylate

CAS No.:
64224-59-5
Catalog Number:
AG003QCC
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>97%
In Stock USA
United States
$186
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Product Description
Catalog Number:
AG003QCC
Chemical Name:
Ethyl 5-bromopyrimidine-4-carboxylate
CAS Number:
64224-59-5
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
MDL Number:
MFCD16660482
IUPAC Name:
ethyl 5-bromopyrimidine-4-carboxylate
InChI:
InChI=1S/C7H7BrN2O2/c1-2-12-7(11)6-5(8)3-9-4-10-6/h3-4H,2H2,1H3
InChI Key:
GHOKOMYFAWORIY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncncc1Br
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.969g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.049g/mol
Monoisotopic Mass:
229.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties