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1193-76-6 | 2,4(1H,3H)-Pyrimidinedione, 5-bromodihydro-
CAS No: 1193-76-6 Catalog No: AG000IJT MDL No:MFCD00023158
Product Description
Catalog Number:
AG000IJT
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-bromodihydro-
CAS Number:
1193-76-6
Molecular Formula:
C4H5BrN2O2
Molecular Weight:
192.9987
MDL Number:
MFCD00023158
IUPAC Name:
5-bromo-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C4H5BrN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)
InChI Key:
ZCDARRSUPCSLRW-UHFFFAOYSA-N
SMILES:
BrC1CNC(=O)NC1=O
NSC Number:
44132
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.953g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193g/mol
Monoisotopic Mass:
191.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Simultaneous HPLC determination of 5-fluorouracil and its metabolites in plasma of cancer patients. | Biomedical chromatography : BMC 20021001 |
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