6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine - CAS 1125409-96-2
Catalog: |
BB072018 |
Product Name: |
6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine |
CAS: |
1125409-96-2 |
Synonyms: |
6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine; 6-bromo-[1,2,5]oxadiazolo[3,4-b]pyridine; 6-Bromo[1,2,5]-oxadiazolo[3,4-b]pyridine |
IUPAC Name: | 6-bromo-[1,2,5]oxadiazolo[3,4-b]pyridine |
Description: | 6-Bromo[1,2,5]oxadiazolo[3,4-b]pyridine |
Molecular Weight: | 199.99 |
Molecular Formula: | C5H2BrN3O |
Canonical SMILES: | C1=C(C=NC2=NON=C21)Br |
InChI: | InChI=1S/C5H2BrN3O/c6-3-1-4-5(7-2-3)9-10-8-4/h1-2H |
InChI Key: | QXKXHPFMLXFTDP-UHFFFAOYSA-N |
Melting Point: | 78 - 80°C |
Solubility: | DMSO (Sparingly), Methanol (Sparingly) |
Appearance: | Pale Brown to Light Brown Solid |
Storage: | 4°C |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.93812 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.93812 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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