Basic information
- Standard SMILES
COc1cc2c(cc1[N+](=O)[O-])NCC2.Cl- InChIKey
AXBMVCUTOMRIEJ-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O3
- Average molar mass
- 230.65 g/mol
- Monoisotopic mass
- 230.0458199
Names & identifiers
- Preferred name
- 5-(methyloxy)-6-nitro-2,3-dihydro-1H-indole hydrochloride
- IUPAC
- 5-methoxy-6-nitro-2,3-dihydro-1H-indole;hydrochloride
Names & synonyms
SCHEMBL2206671AXBMVCUTOMRIEJ-UHFFFAOYSA-N5-(methyloxy)-6-nitro-2,3-dihydro-1H-indole hydrochloride5-(methyloxy)-6-nitro-2,3-dihydro-1H-indole hydrogen chloride
Database identifiers
- PubChem CID
- 67316738
Properties
Computed structural properties
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
3 records
Compound notes
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