| CAS Number | 647853-23-4 |
| Catalog Number | AG00EBY6(AGN-PC-0OEWYF) |
| Chemical Name | 3-methyl-5,7-dinitro-1H-indazole |
| IUPAC Name | 3-methyl-5,7-dinitro-2H-indazole |
| InChI | InChI=1S/C8H6N4O4/c1-4-6-2-5(11(13)14)3-7(12(15)16)8(6)10-9-4/h2-3H,1H3,(H,9,10) |
| InChI Key | QDAOOFJLFDRTDZ-UHFFFAOYSA-N |
| MDL Number | MFCD08236847 |
| Molecular Formula | C8H6N4O4 |
| Molecular Weight | 222.1576 |
| SMILES | [O-][N+](C1=CC(=CC2C(C)=NNC=21)[N+](=O)[O-])=O |
| Synonyms | 3-METHYL-5,7-DINITRO-1H-INDAZOLE,
647853-23-4,
1H-Indazole, 3-methyl-5,7-dinitro-,
3-methyl-5,7-dinitro-2H-indazole,
CTK2A3135,
DTXSID10463389,
9913AB,
ZINC85210713,
AKOS016010244,
AB44165,
AX8088095,
4CH-022096,
ST24042324,
C8H6N4O4,
CID11356482,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.16g/mol |
| Monoisotopic Mass | 222.039g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number