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15862-33-6 | 2(1H)-Pyridinone, 3-bromo-5-nitro-
CAS No: 15862-33-6 Catalog No: AG001QD8 MDL No:MFCD01117226
Product Description
Catalog Number:
AG001QD8
Chemical Name:
2(1H)-Pyridinone, 3-bromo-5-nitro-
CAS Number:
15862-33-6
Molecular Formula:
C5H3BrN2O3
Molecular Weight:
218.9929
MDL Number:
MFCD01117226
IUPAC Name:
3-bromo-5-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C5H3BrN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,(H,7,9)
InChI Key:
KWSOHRDMTWDAOI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(=O)c(c1)Br
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.994g/mol
Monoisotopic Mass:
217.933g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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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