Basic information
- CAS
53918-84-6- Standard SMILES
COc1cc2cc(C)n(C)c2cc1[N+](=O)[O-]- InChIKey
SYTNQFPMEUPDRG-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- 6-Nitro-5-methoxy-1,2-dimethylindole
- IUPAC
- 5-methoxy-1,2-dimethyl-6-nitroindole
- English name
- 6-Nitro-5-methoxy-1,2-dimethylindole
- Molecular formula
- C11H12N2O3
- Molecular weight
- 220.22
Names & synonyms
5-Methoxy-1,2-dimethyl-6-nitro-1H-indole53918-84-66-Nitro-5-methoxy-1,2-dimethylindole5-methoxy-1,2-dimethyl-6-nitroindoleSYTNQFPMEUPDRG-UHFFFAOYSA-DTXSID30346549SYTNQFPMEUPDRG-UHFFFAOYSA-NDB-3181565-Methoxy-1,2-dimethyl-6-nitro-1H-indole #Q63399978InChI=1/C11H12N2O3/c1-7-4-8-5-11(16-3)10(13(14)15)6-9(8)12(7)2/h4-6H,1-3H31H-Indole, 5-methoxy-1,2-dimethyl-6-nitro-
Database identifiers
- CAS
53918-84-6- PubChem CID
- 613168
- DTXSID
DTXSID30346549- Nikkaji
- J47.263H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Boiling point
- 399.5 · 399.5±37.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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