| CAS Number | 1169788-32-2 |
| Catalog Number | AG01EIFZ |
| Chemical Name | 6-nitro-4-(trifluoromethyl)-1H-indazole |
| IUPAC Name | 6-nitro-4-(trifluoromethyl)-1H-indazole |
| InChI | InChI=1S/C8H4F3N3O2/c9-8(10,11)6-1-4(14(15)16)2-7-5(6)3-12-13-7/h1-3H,(H,12,13) |
| InChI Key | OQSAMGQYHIMFPN-UHFFFAOYSA-N |
| MDL Number | MFCD27993179 |
| Molecular Formula | C8H4F3N3O2 |
| Molecular Weight | 231.1315 |
| SMILES | [O-][N+](C1=CC2=C(C=NN2)C(C(F)(F)F)=C1)=O |
| Synonyms | 1169788-32-2,
1H-Indazole, 6-nitro-4-(trifluoromethyl)-,
SCHEMBL2919457,
ZINC89196520,
AKOS034072199,
6-nitro-4-(trifluoromethyl)-1H-indazole,
1h-indazole,6-nitro-4-(trifluoromethyl)-,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.134g/mol |
| Monoisotopic Mass | 231.026g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number