Basic information
- Standard SMILES
CC(C)Cn1cc(Br)c2ccc([N+](=O)[O-])cc21- InChIKey
BBROCWPLSMGDDK-UHFFFAOYSA-N- Molecular formula
- C12H13BrN2O2
- Average molar mass
- 297.15 g/mol
Names & identifiers
- Preferred name
- 3-bromo-1-isobutyl-6-nitro-1H-indole
- IUPAC
- 3-bromo-1-(2-methylpropyl)-6-nitroindole
Names & synonyms
3-bromo-1-isobutyl-6-nitro-1H-indole945556-88-73-bromo-1-(2-methylpropyl)-6-nitro-1H-indoleSCHEMBL16307533-bromo-1-(2-methylpropyl)-6-nitroindoleA1-25824
Database identifiers
- PubChem CID
- 57442189
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Related reactions
1 records
Compound notes
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