| CAS Number | 930889-25-1 |
| Catalog Number | AG019KJ6 |
| Chemical Name | 3-Methyl-5-nitroisoxazolo[5,4-b]pyridine |
| IUPAC Name | 3-methyl-5-nitro-[1,2]oxazolo[5,4-b]pyridine |
| InChI | InChI=1S/C7H5N3O3/c1-4-6-2-5(10(11)12)3-8-7(6)13-9-4/h2-3H,1H3 |
| InChI Key | UDZPWRQGBDXSOM-UHFFFAOYSA-N |
| MDL Number | MFCD09347296 |
| Molecular Formula | C7H5N3O3 |
| Molecular Weight | 179.1329 |
| SMILES | CC1C2=C(N=CC([N+]([O-])=O)=C2)ON=1 |
| Synonyms | 3-methyl-5-nitro-[1,2]oxazolo[5,4-b]pyridine,
3-methyl-5-nitroisoxazolo[5,4-b]pyridine,
930889-25-1,
AC1Q2QBD,
CTK5I2875,
STL414592,
ZINC12505377,
AKOS024299789,
MCULE-1508737940,
NE32998,
ST45255810,
EN300-27138,
3-methyl-5-nitro[1,2]oxazolo[5,4-b]pyridine,
Z235345325,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.135g/mol |
| Monoisotopic Mass | 179.033g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number