Basic information
- Standard SMILES
Cn1cc(S(=O)(=O)Cl)c2cc([N+](=O)[O-])ccc21- InChIKey
UZDMEHXGDDSAQD-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O4S
- Average molar mass
- 274.68 g/mol
- Monoisotopic mass
- 273.9815056
Names & identifiers
- Preferred name
- 1-methyl-5-nitro-1H-indole-3-sulfonyl chloride
- IUPAC
- 1-methyl-5-nitroindole-3-sulfonyl chloride
Names & synonyms
SCHEMBL6344032UZDMEHXGDDSAQD-UHFFFAOYSA-N1-methyl-5-nitro-1H-indole-3-sulfonyl chloride
Database identifiers
- PubChem CID
- 22344729
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 416
Related reactions
3 records
Compound notes
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