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17902-25-9 | 2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(tetrahydro-2-furanyl)-
CAS No: 17902-25-9 Catalog No: AG0026OX MDL No:
Product Description
Catalog Number:
AG0026OX
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-bromo-1-(tetrahydro-2-furanyl)-
CAS Number:
17902-25-9
Molecular Formula:
C8H9BrN2O3
Molecular Weight:
261.0727
IUPAC Name:
5-bromo-1-(oxolan-2-yl)pyrimidine-2,4-dione
InChI:
InChI=1S/C8H9BrN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)
InChI Key:
BXYIIBLEKYIHBE-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(cc1Br)C1CCCO1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.075g/mol
Monoisotopic Mass:
259.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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