Basic information
- Standard SMILES
CC(C)(Cc1c[nH]c2ccc(Cl)cc12)[N+](=O)[O-]- InChIKey
MFGHQBHMYRVGNO-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
Names & identifiers
- Preferred name
- 3-(2,2-dimethyl-2-nitroethyl)-5-chloro-1H-indole
- IUPAC
- 5-chloro-3-(2-methyl-2-nitropropyl)-1H-indole
Names & synonyms
SCHEMBL9257193MFGHQBHMYRVGNO-UHFFFAOYSA-N3-(2,2-dimethyl-2-nitroethyl)-5-chloro-1H-indole5-Chloro-3-(2,2-dimethyl-2-nitroethyl)-1H-indole
Database identifiers
- PubChem CID
- 19919934
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
3 records
Compound notes
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