Basic information
- CAS
3647-22-1- Standard SMILES
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC1- InChIKey
DFLQWHHEKWANDH-UHFFFAOYSA-N- Molecular formula
- C9H9N3O3
- Average molar mass
- 207.19 g/mol
- Monoisotopic mass
- 207.06439116
Names & identifiers
- Preferred name
- 1-Aziridinecarboxamide, N-(p-nitrophenyl)-
- IUPAC
- N-(4-nitrophenyl)aziridine-1-carboxamide
- English name
- N-(4-Nitrophenyl)-1-aziridinecarboxamide
- Molecular weight
- 0
Names & synonyms
3647-22-1BRN 13469591-AZIRIDINECARBOXAMIDE, N-(p-NITROPHENYL)-1-(1-Aziridinyl)-N-(p-nitrophenyl)formamideFormamide, 1-(1-aziridinyl)-N-(p-nitrophenyl)-DTXSID00189980RefChem:227723DTXCID60112471N-(4-nitrophenyl)aziridine-1-carboxamideN-(4-Nitrophenyl)-1-aziridinecarboxamideSCHEMBL28813844
Database identifiers
- CAS
3647-22-1- PubChem CID
- 19281
- DTXSID
DTXSID00189980- Nikkaji
- J54.468J
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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