Basic information
- Standard SMILES
CC(C)(Cc1c[nH]c2cccc(F)c12)[N+](=O)[O-]- InChIKey
XAGVNLJIESZUJZ-UHFFFAOYSA-N- Molecular formula
- C12H13FN2O2
- Average molar mass
- 236.24 g/mol
- Monoisotopic mass
- 236.09610582
Names & identifiers
- Preferred name
- 4-fluoro-3-(2-methyl-2-nitropropyl)-1H-indole
- IUPAC
- 4-fluoro-3-(2-methyl-2-nitropropyl)-1H-indole
Names & synonyms
SCHEMBL5646474XAGVNLJIESZUJZ-UHFFFAOYSA-N4-fluoro-3-(2-methyl-2-nitropropyl)-1H-indole
Database identifiers
- PubChem CID
- 22014813
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
3 records
Compound notes
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