1-(6-Nitro-1h-indol-3-yl)ethanone
Basic information
- CAS
4993-92-4- Standard SMILES
CC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12- InChIKey
QSNCAYQUMQNBDB-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Names & identifiers
- Preferred name
- 1-(6-Nitro-1h-indol-3-yl)ethanone
- IUPAC
- 1-(6-nitro-1H-indol-3-yl)ethanone
- English name
- 1-(6-nitro-1H-indol-3-yl)ethanone
- Molecular formula
- C10H8N2O3
- Molecular weight
- 204.18
Names & synonyms
1-(6-nitro-1h-indol-3-yl)ethanone4993-92-4DTXSID70300544RefChem:225915DTXCID802516791-(6-Nitro-1H-indol-3-yl)ethan-1-oneNSC1375066-nitro-3-acetylindoleNSC-137506CS-0363662Ethanone, 1-(6-nitro-1H-indol-3-yl)-
Database identifiers
- CAS
4993-92-4- PubChem CID
- 283180
- DTXSID
DTXSID70300544- Nikkaji
- J1.041.396F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 340 · 340-342 °C
- Boiling point
- 429.1 · 429.1±25.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- pka
- 13.14 · 13.14±0.30(Predicted)
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Related reactions
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Compound notes
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