1,2,3,3-Tetramethyl-6-nitro-2,3-dihydro-1H-indole
Basic information
- CAS
61360-89-2- Standard SMILES
CC1N(C)c2cc([N+](=O)[O-])ccc2C1(C)C- InChIKey
BYHFGPIICGZZNB-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.12117776
Names & identifiers
- Preferred name
- 1,2,3,3-Tetramethyl-6-nitro-2,3-dihydro-1H-indole
- IUPAC
- 1,2,3,3-tetramethyl-6-nitro-2H-indole
Names & synonyms
61360-89-2DTXSID703189471,2,3,3-Tetramethyl-6-nitro-2,3-dihydro-1H-indoleRefChem:214233DTXCID102700701,2,3,3-Tetramethyl-6-nitroindolineNSC338154SCHEMBL9066778NSC-338154
Database identifiers
- CAS
61360-89-2- PubChem CID
- 333986
- DTXSID
DTXSID70318947
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…