Home Halogens 5-bromo-1H,5H-pyrimidine-4,6-dione

5-bromo-1H,5H-pyrimidine-4,6-dione

CAS No.:
52176-13-3
Catalog Number:
AG00DI2C
Molecular Formula:
C4H3BrN2O2
Molecular Weight:
190.9828
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Product Description
Catalog Number:
AG00DI2C
Chemical Name:
5-bromo-1H,5H-pyrimidine-4,6-dione
CAS Number:
52176-13-3
Molecular Formula:
C4H3BrN2O2
Molecular Weight:
190.9828
MDL Number:
MFCD14706126
IUPAC Name:
5-bromo-1H-pyrimidine-4,6-dione
InChI:
InChI=1S/C4H3BrN2O2/c5-2-3(8)6-1-7-4(2)9/h1-2H,(H,6,7,8,9)
InChI Key:
SGJYMNDTJKWWFN-UHFFFAOYSA-N
SMILES:
BrC1C(=O)NC=NC1=O
EC Number:
257-703-2
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.938g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.984g/mol
Monoisotopic Mass:
189.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties