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15862-34-7 | 2(1H)-Pyridinone, 5-bromo-3-nitro-
CAS No: 15862-34-7 Catalog No: AG001QD7 MDL No:MFCD00023473
Product Description
Catalog Number:
AG001QD7
Chemical Name:
2(1H)-Pyridinone, 5-bromo-3-nitro-
CAS Number:
15862-34-7
Molecular Formula:
C5H3BrN2O3
Molecular Weight:
218.9929
MDL Number:
MFCD00023473
IUPAC Name:
5-bromo-3-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C5H3BrN2O3/c6-3-1-4(8(10)11)5(9)7-2-3/h1-2H,(H,7,9)
InChI Key:
WXRLCVUDLFFTFF-UHFFFAOYSA-N
SMILES:
Brc1c[nH]c(=O)c(c1)[N+](=O)[O-]
EC Number:
239-989-0
NSC Number:
170563
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
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