Home Halogens 5-Pyrimidinecarboxylic acid, 4-(bromomethyl)-1,2,3,6-tetrahydro-2-oxo-, ethyl ester

5-Pyrimidinecarboxylic acid, 4-(bromomethyl)-1,2,3,6-tetrahydro-2-oxo-, ethyl ester

CAS No.:
14903-94-7
Catalog Number:
AG001LCY
Molecular Formula:
C8H11BrN2O3
Molecular Weight:
263.0885
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Product Description
Catalog Number:
AG001LCY
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-(bromomethyl)-1,2,3,6-tetrahydro-2-oxo-, ethyl ester
CAS Number:
14903-94-7
Molecular Formula:
C8H11BrN2O3
Molecular Weight:
263.0885
MDL Number:
MFCD00176488
IUPAC Name:
ethyl 6-(bromomethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C8H11BrN2O3/c1-2-14-7(12)5-4-10-8(13)11-6(5)3-9/h2-4H2,1H3,(H2,10,11,13)
InChI Key:
XCSPAPSTDLJWOA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(CBr)NC(=O)NC1
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.995g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.091g/mol
Monoisotopic Mass:
261.995g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties