Aziridine, 1-((4-nitrophenyl)sulfonyl)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
43090-97-7- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC2)cc1- InChIKey
ZGBAGAYAVNYGRR-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4S
- Average molar mass
- 228.23 g/mol
- Monoisotopic mass
- 228.02047791
Names & identifiers
- Preferred name
- Aziridine, 1-((4-nitrophenyl)sulfonyl)-
- IUPAC
- 1-(4-nitrophenyl)sulfonylaziridine
- English name
- 1-(4-nitro-benzenesulfonyl)-aziridine
- Molecular formula
- C8H8N2O4S
- Molecular weight
- 228.23
Names & synonyms
43090-97-7Aziridine, 1-((4-nitrophenyl)sulfonyl)-1-((4-Nitrophenyl)sulfonyl)aziridineDTXSID00195687RefChem:320400DTXCID401181781-(4-nitrophenyl)sulfonylaziridine1-[(4-nitrobenzene)sulfonyl]aziridinenosylaziridinenosyl aziridine1-(4-Nitrophenylsulfonyl)aziridineSCHEMBL1519692
Show more names
1-(4-nitro-benzenesulfonyl)-aziridineAziridine, 1-[(4-nitrophenyl)sulfonyl]-
ZGBAGAYAVNYGRR-UHFFFAOYSA-N1-(4-Nitrobenzene-1-sulfonyl)aziridine
Database identifiers
- CAS
43090-97-7- PubChem CID
- 148462
- DTXSID
DTXSID00195687- Nikkaji
- J1.811.313I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 405.2 · 405.2±47.0 °C(Predicted)
- Density
- 1.591 · 1.591±0.06 g/cm3(Predicted)
- pka
- -7.94 · -7.94±0.20(Predicted)
Related reactions
5 records
Compound notes
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