| CAS Number | 254429-02-2 |
| Catalog Number | AG00BIEU(AGN-PC-0WACCL) |
| Chemical Name | 8-Methyl-6-nitro-[1,2,3,4]tetrazolo[1,5-a]pyridine |
| IUPAC Name | 8-methyl-6-nitrotetrazolo[1,5-a]pyridine |
| InChI | InChI=1S/C6H5N5O2/c1-4-2-5(11(12)13)3-10-6(4)7-8-9-10/h2-3H,1H3 |
| InChI Key | MXXSHJBYKGYDIG-UHFFFAOYSA-N |
| MDL Number | MFCD26383416 |
| Molecular Formula | C6H5N5O2 |
| Molecular Weight | 179.1362 |
| SMILES | [O-][N+](=O)c1cc(C)c2n(c1)nnn2 |
| Synonyms | 8-METHYL-6-NITRO-[1,2,3,4]TETRAZOLO[1,5-A]PYRIDINE,
254429-02-2,
8-Methyl-6-nitrotetrazolo[1,5-a]pyridine,
ZINC95495630,
CS-0080853,
V4695,
K-6675,
C6H5N5O2,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.139g/mol |
| Monoisotopic Mass | 179.044g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 88.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number