| CAS Number | 1260880-81-6 |
| Catalog Number | AG000RI6(AGN-PC-0WD437) |
| Chemical Name | 5-Bromoisoxazolo[5,4-b]pyridin-3-amine |
| IUPAC Name | 5-bromo-[1,2]oxazolo[5,4-b]pyridin-3-amine |
| InChI | InChI=1S/C6H4BrN3O/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H2,8,10) |
| InChI Key | FCOPBLPMMCTEQE-UHFFFAOYSA-N |
| MDL Number | MFCD13193316 |
| Molecular Formula | C6H4BrN3O |
| Molecular Weight | 214.0195 |
| SMILES | NC1C2=C(N=CC(=C2)Br)ON=1 |
| Synonyms | 5-Bromoisoxazolo[5,4-b]pyridin-3-amine,
1260880-81-6,
SCHEMBL17498395,
DTXSID30857524,
ZINC95830806,
AJ-134945,
Isoxazolo[5,4-b]pyridin-3-amine, 5-bromo-,
5-bromo-[1,2]oxazolo[5,4-b]pyridin-3-amine,
5-Bromo[1,2]oxazolo[5,4-b]pyridin-3-amine,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.022g/mol |
| Monoisotopic Mass | 212.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number