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168123-84-0 | Pyrido[2,3-b]pyrazine-2,3-dione, 7-bromo-1,4-dihydro-, 5-oxide
CAS No: 168123-84-0 Catalog No: AG001XTY MDL No:
Product Description
Catalog Number:
AG001XTY
Chemical Name:
Pyrido[2,3-b]pyrazine-2,3-dione, 7-bromo-1,4-dihydro-, 5-oxide
CAS Number:
168123-84-0
Molecular Formula:
C7H4BrN3O3
Molecular Weight:
258.0290
IUPAC Name:
7-bromo-5-hydroxy-1H-pyrido[2,3-b]pyrazine-2,3-dione
InChI:
InChI=1S/C7H4BrN3O3/c8-3-1-4-5(11(14)2-3)10-7(13)6(12)9-4/h1-2,14H,(H,9,12)
InChI Key:
LAZGZBTZXQNWIU-UHFFFAOYSA-N
SMILES:
Brc1c[n+]([O-])c2c(c1)[nH]c(=O)c(=O)[nH]2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.944g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.031g/mol
Monoisotopic Mass:
256.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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