Home Other Building Blocks 2,4(1H,3H)-PyriMidinedione, 6-(broMoMethyl)-

2,4(1H,3H)-PyriMidinedione, 6-(broMoMethyl)-

CAS No.:
126401-89-6
Catalog Number:
AG000SRG
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
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Product Description
Catalog Number:
AG000SRG
Chemical Name:
2,4(1H,3H)-PyriMidinedione, 6-(broMoMethyl)-
CAS Number:
126401-89-6
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD16656956
IUPAC Name:
6-(bromomethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H5BrN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)
InChI Key:
QKFCIPPOTNXGCH-UHFFFAOYSA-N
SMILES:
BrCc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.953g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.011g/mol
Monoisotopic Mass:
203.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties