3-(2-Nitro-2-methylpropyl)-7-nitroindole
Basic information
- Standard SMILES
CC(C)(Cc1c[nH]c2c([N+](=O)[O-])cccc12)[N+](=O)[O-]- InChIKey
PHKFAUMCHJYWSD-UHFFFAOYSA-N- Molecular formula
- C12H13N3O4
- Average molar mass
- 263.25 g/mol
Names & identifiers
- Preferred name
- 3-(2-Nitro-2-methylpropyl)-7-nitroindole
- IUPAC
- 3-(2-methyl-2-nitropropyl)-7-nitro-1H-indole
Names & synonyms
SCHEMBL5648910PHKFAUMCHJYWSD-UHFFFAOYSA-N3-(2-Nitro-2-methylpropyl)-7-nitroindole
Database identifiers
- PubChem CID
- 22014767
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Related reactions
7 records
Compound notes
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