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88089-60-5 | Pyrazine, tribromo-, 4-oxide
CAS No: 88089-60-5 Catalog No: AG004K0E MDL No:
Product Description
Catalog Number:
AG004K0E
Chemical Name:
Pyrazine, tribromo-, 4-oxide
CAS Number:
88089-60-5
Molecular Formula:
C4HBr3N2O
Molecular Weight:
332.7755
IUPAC Name:
2,3,6-tribromo-1-oxidopyrazin-1-ium
InChI:
InChI=1S/C4HBr3N2O/c5-2-1-8-3(6)4(7)9(2)10/h1H
InChI Key:
KHAKDVNWYOIKRG-UHFFFAOYSA-N
SMILES:
Brc1cnc(c([n+]1[O-])Br)Br
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.762g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.777g/mol
Monoisotopic Mass:
329.764g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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