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Basic information
- Standard SMILES
O=C(O)C1CN1S(=O)(=O)c1ccccc1[N+](=O)[O-]- InChIKey
KFEVRFMEAGRENL-UHFFFAOYSA-N- Molecular formula
- C9H8N2O6S
- Average molar mass
- 272.24 g/mol
Names & identifiers
- Preferred name
- (S)-N-2-nitrobenzenesulfonyl-aziridine-2-carboxylic acid
- IUPAC
- 1-(2-nitrophenyl)sulfonylaziridine-2-carboxylic acid
Names & synonyms
SCHEMBL6096663KFEVRFMEAGRENL-MHPPCMCBSA-N(S)-N-2-nitrobenzenesulfonyl-aziridine-2-carboxylic acid
Database identifiers
- PubChem CID
- 9856744
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 464
Related reactions
3 records
Compound notes
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