Basic information
- CAS
7510-19-2- Standard SMILES
COc1ccc2c(c1)c(CC(C)[N+](=O)[O-])c(C)n2Cc1ccccc1- InChIKey
ADRWJAJBBRQYHQ-UHFFFAOYSA-N- Molecular formula
- C20H22N2O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.16304257
Names & identifiers
- Preferred name
- 1-Benzyl-5-methoxy-2-methyl-3-(2-nitropropyl)indole
- IUPAC
- 1-benzyl-5-methoxy-2-methyl-3-(2-nitropropyl)indole
Names & synonyms
7510-19-21-benzyl-5-methoxy-2-methyl-3-(2-nitropropyl)indoleNSC405610DTXSID90324060NSC-4056101-Benzyl-5-methoxy-2-methyl-3-(2-nitropropyl)-1H-indole
Database identifiers
- CAS
7510-19-2- PubChem CID
- 347115
- DTXSID
DTXSID90324060
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…