Basic information
- Standard SMILES
NC(=O)c1cc(N2CC2)ccc1[N+](=O)[O-]- InChIKey
MQDHAZGQZWYFBP-UHFFFAOYSA-N- Molecular formula
- C9H9N3O3
- Average molar mass
- 207.19 g/mol
- Monoisotopic mass
- 207.06439116
Names & identifiers
- Preferred name
- 5-(Aziridin-1-yl)-2-nitrobenzamide
- IUPAC
- 5-(aziridin-1-yl)-2-nitrobenzamide
Names & synonyms
CHEMBL113291SCHEMBL6573537MQDHAZGQZWYFBP-UHFFFAOYSA-N5-(aziridin-1-yl)-2-nitrobenzamide5-(aziridine-1-yl)-2,4-nitrobenzamide
Database identifiers
- PubChem CID
- 10176641
- ChEMBL
CHEMBL113291
Properties
Computed structural properties
- XLogP
- 0.7
- 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
LogP0.7
Related reactions
2 records
Compound notes
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