Basic information
- Standard SMILES
NC(=O)c1ccc([N+](=O)[O-])c(N2CC2)c1- InChIKey
HTIRJKNIIIRSSH-UHFFFAOYSA-N- Molecular formula
- C9H9N3O3
- Average molar mass
- 207.19 g/mol
Names & identifiers
- Preferred name
- 3-(Aziridin-1-yl)-4-nitrobenzamide
- IUPAC
- 3-(aziridin-1-yl)-4-nitrobenzamide
Names & synonyms
CHEMBL111860SCHEMBL3503304HTIRJKNIIIRSSH-UHFFFAOYSA-N3-(aziridin-1-yl)-4-nitrobenzamide
Database identifiers
- PubChem CID
- 11275778
- ChEMBL
CHEMBL111860
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
LogP0.47
Related reactions
1 records
Compound notes
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