| CAS Number | 61861-88-9 |
| Catalog Number | AG00F4ZK(AGN-PC-0JTL11) |
| Chemical Name | 3-Methyl-5-nitro-1H-indole |
| IUPAC Name | 3-methyl-5-nitro-1H-indole |
| InChI | InChI=1S/C9H8N2O2/c1-6-5-10-9-3-2-7(11(12)13)4-8(6)9/h2-5,10H,1H3 |
| InChI Key | LPFQDJBJGFUMRG-UHFFFAOYSA-N |
| MDL Number | MFCD00277073 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-] |
| Synonyms | 3-Methyl-5-nitro-1H-indole,
61861-88-9,
5-Nitro-3-methylindole,
3-Methyl-5-nitroindole,
1H-Indole, 3-methyl-5-nitro-,
LPFQDJBJGFUMRG-UHFFFAOYSA-N,
AC1LCI1N,
SCHEMBL3298386,
CTK8J6679,
3-Methyl-5-nitro-1H-indole #,
ZINC3138370,
CN-013,
AKOS028111550,
SB14930,
Z2469680245,
CID600587,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number