3-(6-fluoro-5-nitro-1H-indol-2-yl)-3-methylbutan-1-ol
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Basic information
- Standard SMILES
CC(C)(CCO)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]1- InChIKey
SGSGSWSPHDZPOX-UHFFFAOYSA-N- Molecular formula
- C13H15FN2O3
- Average molar mass
- 266.27 g/mol
- Monoisotopic mass
- 266.10667051
Names & identifiers
- Preferred name
- 3-(6-fluoro-5-nitro-1H-indol-2-yl)-3-methylbutan-1-ol
- IUPAC
- 3-(6-fluoro-5-nitro-1H-indol-2-yl)-3-methylbutan-1-ol
Names & synonyms
SCHEMBL1465427SGSGSWSPHDZPOX-UHFFFAOYSA-N3-(6-fluoro-5-nitro-1H-indol-2-yl)-3-methylbutan-1-ol
Database identifiers
- PubChem CID
- 59129367
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
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Related reactions
18 records
Compound notes
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