| CAS Number | 1360883-24-4 |
| Catalog Number | AG01FN2B(AGN-PC-3H5NA9) |
| Chemical Name | 4-nitro-6-(trifluoromethyl)-1h-indole |
| IUPAC Name | 4-nitro-6-(trifluoromethyl)-1H-indole |
| InChI | InChI=1S/C9H5F3N2O2/c10-9(11,12)5-3-7-6(1-2-13-7)8(4-5)14(15)16/h1-4,13H |
| InChI Key | NSPYUGMHOGMEPM-UHFFFAOYSA-N |
| MDL Number | MFCD27965687 |
| Molecular Formula | C9H5F3N2O2 |
| Molecular Weight | 230.1434 |
| SMILES | O=[N+]([O-])C1C2=C(NC=C2)C=C(C=1)C(F)(F)F |
| Synonyms | 4-Nitro-6-(trifluoromethyl)-1H-indole,
1360883-24-4,
1h-indole,4-nitro-6-(trifluoromethyl)-,
MFCD27965687,
ZINC89204488,
AKOS030628865,
AS-43596,
F1905-9017,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.146g/mol |
| Monoisotopic Mass | 230.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number