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117196-08-4 | Pyridine, 2,4-dibromo-, 1-oxide
CAS No: 117196-08-4 Catalog No: AG000DWU MDL No:
Product Description
Catalog Number:
AG000DWU
Chemical Name:
Pyridine, 2,4-dibromo-, 1-oxide
CAS Number:
117196-08-4
Molecular Formula:
C5H3Br2NO
Molecular Weight:
252.8914
IUPAC Name:
2,4-dibromo-1-oxidopyridin-1-ium
InChI:
InChI=1S/C5H3Br2NO/c6-4-1-2-8(9)5(7)3-4/h1-3H
InChI Key:
HLTHDBIDRZSXAV-UHFFFAOYSA-N
SMILES:
Brc1cc[n+](c(c1)Br)[O-]
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.856g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.893g/mol
Monoisotopic Mass:
250.858g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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