2-Amino-3,5-dibromopyrazin-1-ium-1-olate - CAS 84539-09-3
Catalog: |
BB075013 |
Product Name: |
2-Amino-3,5-dibromopyrazin-1-ium-1-olate |
CAS: |
84539-09-3 |
Synonyms: |
2-AMINO-3,5-DIBROMOPYRAZIN-1-IUM-1-OLATE; 3,5-dibromo-1-hydroxypyrazin-2-imine |
IUPAC Name: | 3,5-dibromo-1-hydroxypyrazin-2-imine |
Description: | 2-Amino-3,5-dibromopyrazin-1-ium-1-olate |
Molecular Weight: | 268.89 |
Molecular Formula: | C4H3Br2N3O |
Canonical SMILES: | C1=C(N=C(C(=N)N1O)Br)Br |
InChI: | InChI=1S/C4H3Br2N3O/c5-2-1-9(10)4(7)3(6)8-2/h1,7,10H |
InChI Key: | VZLZHFATLCSEPN-UHFFFAOYSA-N |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.86224 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.86429 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 59.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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